 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer02_M11-augccpVDZr.in
 Output=30_ibuprofen_conformer02_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-39604.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     39606.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer02_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 14:02:09 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer02_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.868055000000     -1.025183000000      0.932371000000
  C                                                -1.434107000000     -0.545371000000     -0.248073000000
  C                                                 0.458923000000     -0.767507000000      1.247518000000
  C                                                 1.261147000000     -0.015622000000      0.393477000000
  C                                                 0.704012000000      0.460918000000     -0.791509000000
  C                                                -0.622388000000      0.197168000000     -1.104326000000
  C                                                -2.884143000000     -0.797677000000     -0.560930000000
  C                                                -3.859347000000      0.079867000000      0.248474000000
  C                                                -5.302322000000     -0.340915000000     -0.025297000000
  C                                                -3.656246000000      1.566161000000     -0.039220000000
  C                                                 2.704700000000      0.290879000000      0.757917000000
  C                                                 3.609551000000     -0.230826000000     -0.341871000000
  O                                                 4.016576000000      0.405594000000     -1.279125000000
  O                                                 3.899108000000     -1.541087000000     -0.173315000000
  H                                                -1.472172000000     -1.614332000000      1.612565000000
  H                                                 0.878164000000     -1.158470000000      2.166794000000
  H                                                 1.314336000000      1.031987000000     -1.479725000000
  H                                                -1.035819000000      0.574991000000     -2.031681000000
  H                                                -3.119764000000     -1.847600000000     -0.364999000000
  H                                                -3.064334000000     -0.629403000000     -1.626821000000
  H                                                -3.648628000000     -0.091406000000      1.310090000000
  H                                                -5.462258000000     -1.394737000000      0.212636000000
  H                                                -5.554412000000     -0.194814000000     -1.079386000000
  H                                                -6.003960000000      0.248931000000      0.567812000000
  H                                                -4.340507000000      2.174366000000      0.555493000000
  H                                                -3.848256000000      1.784180000000     -1.093903000000
  H                                                -2.638064000000      1.883648000000      0.187153000000
  H                                                 2.943576000000     -0.269791000000      1.662471000000
  C                                                 2.939441000000      1.783706000000      0.996225000000
  H                                                 4.431862000000     -1.814062000000     -0.936873000000
  H                                                 2.272779000000      2.139344000000      1.781775000000
  H                                                 2.744635000000      2.353840000000      0.089526000000
  H                                                 3.970359000000      1.973688000000      1.298054000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 14:02:10 2021, MaxMem=  6442450944 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394304   0.000000
     3  C    1.388015   2.422746   0.000000
     4  C    2.417255   2.820747   1.392221   0.000000
     5  C    2.766162   2.424767   2.393058   1.393442   0.000000
     6  C    2.388018   1.394066   2.762427   2.415864   1.388076
     7  C    2.519190   1.504707   3.800985   4.325035   3.809473
     8  C    3.261392   2.553286   4.512603   5.123437   4.695850
     9  C    4.587818   3.880015   5.915571   6.584855   6.107869
    10  C    3.928494   3.072473   4.902685   5.183630   4.560631
    11  C    3.811434   4.340628   2.530495   1.520067   2.536215
    12  C    4.722674   5.054327   3.569403   2.470233   3.020404
    13  O    5.549546   5.628263   4.518516   3.250755   3.348718
    14  O    4.920827   5.425884   3.801587   3.099538   3.820841
    15  H    1.083844   2.146183   2.139977   3.393093   3.849937
    16  H    2.142626   3.399128   1.083367   2.144162   3.377026
    17  H    3.848764   3.399848   3.377538   2.146905   1.082708
    18  H    3.372581   2.143619   3.845738   3.392089   2.139638
    19  H    2.725753   2.133287   4.071095   4.808722   4.486918
    20  H    3.395548   2.136738   4.549092   4.813327   4.010857
    21  H    2.957397   2.745553   4.163292   4.995179   4.864900
    22  H    4.664900   4.142424   6.043574   6.865773   6.517258
    23  H    5.167071   4.217924   6.473226   6.975190   6.299264
    24  H    5.304130   4.709580   6.577538   7.272012   6.847597
    25  H    4.736779   4.060769   5.671688   6.016712   5.495224
    26  H    4.569453   3.459820   5.526767   5.617614   4.750327
    27  H    3.485625   2.745736   4.212401   4.342078   3.761836
    28  H    3.953757   4.784374   2.567763   2.122620   3.401706
    29  C    4.731909   5.108894   3.567185   2.533290   3.153237
    30  H    5.674991   6.040995   4.653073   3.880419   4.369614
    31  H    4.538784   5.006893   3.467750   2.755839   3.449628
    32  H    5.017939   5.097184   4.038345   2.812023   2.919507
    33  H    5.704139   6.159904   4.454984   3.480725   4.162183
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.529927   0.000000
     8  C    3.510232   1.541506   0.000000
     9  C    4.832765   2.518556   1.527804   0.000000
    10  C    3.494694   2.540877   1.527445   2.519266   0.000000
    11  C    3.813954   5.844611   6.587167   8.070006   6.536314
    12  C    4.321322   6.522068   7.498632   8.918174   7.490832
    13  O    4.646933   7.041561   8.029310   9.432456   7.858529
    14  O    4.932772   6.834866   7.937192   9.280552   8.170456
    15  H    3.374191   2.717475   3.229498   4.355942   4.196917
    16  H    3.845730   4.661073   5.259034   6.608484   5.731578
    17  H    2.142136   4.671090   5.537165   6.912336   5.202603
    18  H    1.083357   2.731964   3.662863   4.802865   3.437871
    19  H    3.311279   1.093730   2.153709   2.673772   3.470981
    20  H    2.630460   1.094033   2.156813   2.767073   2.773326
    21  H    3.882114   2.141021   1.095794   2.140144   2.137340
    22  H    5.262404   2.757093   2.178317   1.092123   3.477359
    23  H    4.947639   2.786140   2.170693   1.093617   2.790343
    24  H    5.635605   3.478894   2.174839   1.091784   2.759591
    25  H    4.526447   3.492912   2.170876   2.754822   1.091701
    26  H    3.595127   2.807055   2.169512   2.787877   1.093964
    27  H    2.928324   2.794582   2.179201   3.477368   1.090292
    28  H    4.537545   6.259751   6.957112   8.417152   7.058620
    29  C    4.429000   6.557622   7.048810   8.572291   6.680012
    30  H    5.442291   7.395830   8.586976   9.887137   8.811877
    31  H    4.525883   6.380298   6.647964   8.173087   6.228796
    32  H    4.172932   6.483694   6.986329   8.486955   6.450449
    33  H    5.479122   7.623679   8.123575   9.648381   7.753676
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516728   0.000000
    13  O    2.425638   1.203804   0.000000
    14  O    2.376952   1.352419   2.241915   0.000000
    15  H    4.669744   5.617635   6.524441   5.660864   0.000000
    16  H    2.724295   3.822878   4.916328   3.840392   2.457450
    17  H    2.736676   2.856120   2.781135   3.874076   4.932534
    18  H    4.674833   5.008419   5.110942   5.681973   4.273648
    19  H    6.305427   6.920851   7.539221   7.028176   2.584518
    20  H    6.309964   6.808135   7.164593   7.171706   3.741482
    21  H    6.388726   7.445104   8.105948   7.827540   2.673529
    22  H    8.356903   9.162963   9.762932   9.370462   4.234242
    23  H    8.474934   9.193663   9.591882   9.591791   5.091789
    24  H    8.710836   9.668365  10.190528  10.090797   5.010026
    25  H    7.295440   8.354258   8.737003   9.067911   4.868160
    26  H    6.971400   7.761745   7.986889   8.480951   4.951831
    27  H    5.604267   6.616915   6.972722   7.388732   3.953096
    28  H    1.090702   2.112446   3.203195   2.428857   4.616179
    29  C    1.529845   2.509559   2.869953   3.652812   5.602577
    30  H    3.207207   1.880654   2.283960   0.970239   6.434061
    31  H    2.156772   3.451744   3.926299   4.473577   5.305033
    32  H    2.168905   2.759471   2.699389   4.070915   5.987278
    33  H    2.173818   2.771176   3.017102   3.810990   6.526404
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276149   0.000000
    18  H    4.929037   2.456976   0.000000
    19  H    4.782082   5.403321   3.604109   0.000000
    20  H    5.496792   4.685574   2.393606   1.754785   0.000000
    21  H    4.729103   5.803110   4.293983   2.483916   3.042415
    22  H    6.638939   7.394275   5.339490   2.454796   3.117592
    23  H    7.269412   6.988921   4.681575   3.028128   2.586318
    24  H    7.204245   7.639571   5.616592   3.685670   3.772173
    25  H    6.398329   6.117548   4.491373   4.302758   3.775213
    26  H    6.452161   5.231349   3.201776   3.775159   2.593052
    27  H    5.053446   4.373245   3.033644   3.802515   3.128519
    28  H    2.304348   3.771266   5.495089   6.585151   6.858844
    29  C    3.778293   3.055548   5.141196   7.193975   6.982033
    30  H    4.763541   4.256014   6.066442   7.573323   7.620525
    31  H    3.601218   3.575225   5.285496   7.041582   6.911531
    32  H    4.487213   2.501120   4.685686   7.228407   6.752015
    33  H    4.486289   3.956933   6.172950   8.224222   8.050955
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488439   0.000000
    23  H    3.058153   1.765681   0.000000
    24  H    2.492869   1.766702   1.764161   0.000000
    25  H    2.486330   3.756910   3.124005   2.544509   0.000000
    26  H    3.055627   3.797046   2.612967   3.124955   1.764954
    27  H    2.486577   4.327185   3.798580   3.761178   1.765929
    28  H    6.604025   8.603811   8.929681   9.029161   7.762549
    29  C    6.856910   9.016932   8.964834   9.084244   7.303732
    30  H    8.562167   9.969494  10.117704  10.743668   9.751368
    31  H    6.345218   8.647700   8.654447   8.576233   6.726109
    32  H    6.952900   9.023308   8.759919   9.010955   7.102716
    33  H    7.893904  10.074655  10.053650  10.148649   8.346386
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765096   0.000000
    28  H    7.612186   6.161864   0.000000
    29  C    7.102216   5.636768   2.158877   0.000000
    30  H    9.029527   8.057316   3.369919   4.348347   0.000000
    31  H    6.772203   5.169582   2.503624   1.089957   5.261379
    32  H    6.722442   5.404078   3.065481   1.088625   4.612118
    33  H    8.178515   6.701751   2.494049   1.090865   4.422096
                   31         32         33
    31  H    0.000000
    32  H    1.769848   0.000000
    33  H    1.772909   1.762797   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.37D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5767951           0.2455312           0.2396504
 Leave Link  202 at Mon Sep 27 14:02:10 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5837382899 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 14:02:13 2021, MaxMem=  6442450944 cpu:              14.0 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.69D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 14:02:14 2021, MaxMem=  6442450944 cpu:               8.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 14:02:15 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer02_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 14:02:16 2021, MaxMem=  6442450944 cpu:               8.8 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.373266333084    
 DIIS: error= 3.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.373266333084     IErMin= 1 ErrMin= 3.39D-03
 ErrMax= 3.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-02 BMatP= 1.87D-02
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 GapD=    0.391 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.71D-02 MaxDP=9.92D+00              OVMax= 1.84D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.12D-02    CP:  2.11D+00
 E= -656.391172822832     Delta-E=       -0.017906489748 Rises=F Damp=F
 DIIS: error= 7.51D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.391172822832     IErMin= 2 ErrMin= 7.51D-04
 ErrMax= 7.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.95D-04 BMatP= 1.87D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.51D-03
 Coeff-Com: -0.196D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.195D-01 0.102D+01
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.56D-02 MaxDP=2.02D+00 DE=-1.79D-02 OVMax= 8.03D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.56D-03    CP:  2.34D+00  1.19D+00
 E= -656.391596587518     Delta-E=       -0.000423764686 Rises=F Damp=F
 DIIS: error= 7.13D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.391596587518     IErMin= 3 ErrMin= 7.13D-04
 ErrMax= 7.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-04 BMatP= 6.95D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.13D-03
 Coeff-Com: -0.460D-01 0.502D+00 0.544D+00
 Coeff-En:   0.000D+00 0.138D+00 0.862D+00
 Coeff:     -0.457D-01 0.500D+00 0.546D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.48D-03 MaxDP=1.98D-01 DE=-4.24D-04 OVMax= 4.33D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.10D-04    CP:  2.36D+00  1.21D+00  1.10D+00
 E= -656.391980567244     Delta-E=       -0.000383979726 Rises=F Damp=F
 DIIS: error= 1.02D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.391980567244     IErMin= 4 ErrMin= 1.02D-04
 ErrMax= 1.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-05 BMatP= 5.85D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.02D-03
 Coeff-Com: -0.842D-02 0.256D-01 0.123D+00 0.860D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.841D-02 0.256D-01 0.123D+00 0.860D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.81D-04 MaxDP=4.76D-02 DE=-3.84D-04 OVMax= 1.12D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.22D-04    CP:  2.37D+00  1.22D+00  1.16D+00  1.34D+00
 E= -656.391993413698     Delta-E=       -0.000012846453 Rises=F Damp=F
 DIIS: error= 9.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.391993413698     IErMin= 5 ErrMin= 9.41D-05
 ErrMax= 9.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.78D-06 BMatP= 1.54D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-02-0.483D-01-0.955D-02 0.436D+00 0.620D+00
 Coeff:      0.143D-02-0.483D-01-0.955D-02 0.436D+00 0.620D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=6.56D-05 MaxDP=4.50D-03 DE=-1.28D-05 OVMax= 6.92D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.13D-05    CP:  2.37D+00  1.22D+00  1.18D+00  1.46D+00  1.25D+00
 E= -656.391998129208     Delta-E=       -0.000004715510 Rises=F Damp=F
 DIIS: error= 1.66D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.391998129208     IErMin= 6 ErrMin= 1.66D-05
 ErrMax= 1.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-07 BMatP= 5.78D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.149D-02-0.213D-01-0.191D-01 0.718D-01 0.232D+00 0.735D+00
 Coeff:      0.149D-02-0.213D-01-0.191D-01 0.718D-01 0.232D+00 0.735D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.26D-05 MaxDP=3.93D-03 DE=-4.72D-06 OVMax= 1.55D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.26D-06    CP:  2.37D+00  1.21D+00  1.18D+00  1.49D+00  1.32D+00
                    CP:  1.28D+00
 E= -656.391998444360     Delta-E=       -0.000000315152 Rises=F Damp=F
 DIIS: error= 4.38D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.391998444360     IErMin= 7 ErrMin= 4.38D-06
 ErrMax= 4.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-08 BMatP= 3.46D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.242D-03-0.187D-03-0.431D-02-0.306D-01-0.151D-02 0.212D+00
 Coeff-Com:  0.825D+00
 Coeff:      0.242D-03-0.187D-03-0.431D-02-0.306D-01-0.151D-02 0.212D+00
 Coeff:      0.825D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.87D-05 MaxDP=2.39D-03 DE=-3.15D-07 OVMax= 6.00D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.71D-06    CP:  2.37D+00  1.21D+00  1.18D+00  1.49D+00  1.33D+00
                    CP:  1.30D+00  1.26D+00
 E= -656.391998480654     Delta-E=       -0.000000036294 Rises=F Damp=F
 DIIS: error= 8.75D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.391998480654     IErMin= 8 ErrMin= 8.75D-07
 ErrMax= 8.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-09 BMatP= 2.56D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.719D-04 0.170D-02 0.703D-03-0.127D-01-0.184D-01-0.271D-01
 Coeff-Com:  0.164D+00 0.892D+00
 Coeff:     -0.719D-04 0.170D-02 0.703D-03-0.127D-01-0.184D-01-0.271D-01
 Coeff:      0.164D+00 0.892D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=5.53D-06 MaxDP=7.80D-04 DE=-3.63D-08 OVMax= 1.89D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.71D-06    CP:  2.37D+00  1.21D+00  1.18D+00  1.49D+00  1.34D+00
                    CP:  1.33D+00  1.31D+00  1.13D+00
 E= -656.391998483675     Delta-E=       -0.000000003021 Rises=F Damp=F
 DIIS: error= 3.53D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.391998483675     IErMin= 9 ErrMin= 3.53D-07
 ErrMax= 3.53D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-10 BMatP= 1.89D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.468D-04 0.667D-03 0.651D-03-0.254D-02-0.648D-02-0.293D-01
 Coeff-Com: -0.704D-02 0.335D+00 0.709D+00
 Coeff:     -0.468D-04 0.667D-03 0.651D-03-0.254D-02-0.648D-02-0.293D-01
 Coeff:     -0.704D-02 0.335D+00 0.709D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=6.54D-07 MaxDP=6.20D-05 DE=-3.02D-09 OVMax= 8.53D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.33D-07    CP:  2.37D+00  1.21D+00  1.18D+00  1.49D+00  1.34D+00
                    CP:  1.33D+00  1.33D+00  1.18D+00  1.06D+00
 E= -656.391998484335     Delta-E=       -0.000000000660 Rises=F Damp=F
 DIIS: error= 1.39D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.391998484335     IErMin=10 ErrMin= 1.39D-07
 ErrMax= 1.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.06D-11 BMatP= 3.39D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.283D-05-0.588D-04 0.995D-04 0.113D-02 0.130D-02-0.476D-02
 Coeff-Com: -0.262D-01-0.384D-01 0.209D+00 0.858D+00
 Coeff:     -0.283D-05-0.588D-04 0.995D-04 0.113D-02 0.130D-02-0.476D-02
 Coeff:     -0.262D-01-0.384D-01 0.209D+00 0.858D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=9.01D-07 MaxDP=1.13D-04 DE=-6.60D-10 OVMax= 4.12D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.66D-07    CP:  2.37D+00  1.21D+00  1.18D+00  1.49D+00  1.34D+00
                    CP:  1.33D+00  1.33D+00  1.21D+00  1.12D+00  1.10D+00
 E= -656.391998484178     Delta-E=        0.000000000157 Rises=F Damp=F
 DIIS: error= 6.11D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.391998484335     IErMin=11 ErrMin= 6.11D-08
 ErrMax= 6.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.02D-12 BMatP= 4.06D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.506D-05-0.106D-03-0.486D-04 0.661D-03 0.140D-02 0.213D-02
 Coeff-Com: -0.673D-02-0.568D-01-0.281D-01 0.263D+00 0.825D+00
 Coeff:      0.506D-05-0.106D-03-0.486D-04 0.661D-03 0.140D-02 0.213D-02
 Coeff:     -0.673D-02-0.568D-01-0.281D-01 0.263D+00 0.825D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.30D-07 MaxDP=2.64D-05 DE= 1.57D-10 OVMax= 1.84D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.38D-08    CP:  2.37D+00  1.21D+00  1.18D+00  1.49D+00  1.34D+00
                    CP:  1.33D+00  1.33D+00  1.21D+00  1.15D+00  1.19D+00
                    CP:  1.24D+00
 E= -656.391998484195     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 2.84D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -656.391998484335     IErMin=12 ErrMin= 2.84D-08
 ErrMax= 2.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.82D-13 BMatP= 6.02D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-05-0.611D-05-0.237D-04-0.100D-03 0.470D-04 0.104D-02
 Coeff-Com:  0.356D-02-0.304D-02-0.381D-01-0.998D-01 0.121D+00 0.102D+01
 Coeff:      0.122D-05-0.611D-05-0.237D-04-0.100D-03 0.470D-04 0.104D-02
 Coeff:      0.356D-02-0.304D-02-0.381D-01-0.998D-01 0.121D+00 0.102D+01
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=7.38D-08 MaxDP=5.14D-06 DE=-1.66D-11 OVMax= 1.32D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  3.49D-08    CP:  2.37D+00  1.21D+00  1.18D+00  1.49D+00  1.34D+00
                    CP:  1.33D+00  1.34D+00  1.21D+00  1.16D+00  1.21D+00
                    CP:  1.42D+00  1.48D+00
 E= -656.391998484241     Delta-E=       -0.000000000046 Rises=F Damp=F
 DIIS: error= 1.71D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -656.391998484335     IErMin=13 ErrMin= 1.71D-08
 ErrMax= 1.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-13 BMatP= 7.82D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.536D-06 0.151D-04 0.272D-05-0.121D-03-0.202D-03-0.108D-03
 Coeff-Com:  0.172D-02 0.789D-02-0.290D-02-0.598D-01-0.109D+00 0.194D+00
 Coeff-Com:  0.969D+00
 Coeff:     -0.536D-06 0.151D-04 0.272D-05-0.121D-03-0.202D-03-0.108D-03
 Coeff:      0.172D-02 0.789D-02-0.290D-02-0.598D-01-0.109D+00 0.194D+00
 Coeff:      0.969D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.39D-08 MaxDP=4.54D-06 DE=-4.59D-11 OVMax= 6.41D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.42D-08    CP:  2.37D+00  1.21D+00  1.18D+00  1.49D+00  1.34D+00
                    CP:  1.33D+00  1.34D+00  1.21D+00  1.16D+00  1.20D+00
                    CP:  1.49D+00  1.70D+00  1.33D+00
 E= -656.391998484437     Delta-E=       -0.000000000196 Rises=F Damp=F
 DIIS: error= 4.96D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -656.391998484437     IErMin=14 ErrMin= 4.96D-09
 ErrMax= 4.96D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-14 BMatP= 1.26D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.350D-06 0.526D-05 0.449D-05-0.193D-04-0.703D-04-0.180D-03
 Coeff-Com: -0.864D-04 0.272D-02 0.531D-02-0.830D-03-0.498D-01-0.105D+00
 Coeff-Com:  0.283D+00 0.865D+00
 Coeff:     -0.350D-06 0.526D-05 0.449D-05-0.193D-04-0.703D-04-0.180D-03
 Coeff:     -0.864D-04 0.272D-02 0.531D-02-0.830D-03-0.498D-01-0.105D+00
 Coeff:      0.283D+00 0.865D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.35D-08 MaxDP=1.51D-06 DE=-1.96D-10 OVMax= 2.64D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.19D-09    CP:  2.37D+00  1.21D+00  1.18D+00  1.49D+00  1.34D+00
                    CP:  1.33D+00  1.34D+00  1.21D+00  1.16D+00  1.19D+00
                    CP:  1.49D+00  1.77D+00  1.47D+00  1.15D+00
 E= -656.391998484424     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 3.14D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -656.391998484437     IErMin=15 ErrMin= 3.14D-09
 ErrMax= 3.14D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.77D-15 BMatP= 2.64D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.551D-07-0.229D-05 0.288D-06 0.236D-04 0.263D-04-0.784D-05
 Coeff-Com: -0.416D-03-0.115D-02 0.189D-02 0.131D-01 0.125D-01-0.707D-01
 Coeff-Com: -0.149D+00 0.201D+00 0.992D+00
 Coeff:      0.551D-07-0.229D-05 0.288D-06 0.236D-04 0.263D-04-0.784D-05
 Coeff:     -0.416D-03-0.115D-02 0.189D-02 0.131D-01 0.125D-01-0.707D-01
 Coeff:     -0.149D+00 0.201D+00 0.992D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=7.19D-09 MaxDP=3.64D-07 DE= 1.34D-11 OVMax= 1.29D-07

 SCF Done:  E(RM11) =  -656.391998484     A.U. after   15 cycles
            NFock= 15  Conv=0.72D-08     -V/T= 2.0066
 KE= 6.520926392768D+02 PE=-3.467518046236D+03 EE= 1.188449670185D+03
 Leave Link  502 at Mon Sep 27 14:25:16 2021, MaxMem=  6442450944 cpu:           11022.1 elap:            1379.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10731038D+03

 Leave Link  801 at Mon Sep 27 14:25:17 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10262 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.06D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 1.51D-01 4.27D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 3.81D-02 4.34D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 4.80D-03 1.01D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 4.52D-04 2.40D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 5.12D-05 5.97D-04.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 3.60D-06 1.90D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 1.60D-07 4.32D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 6.02D-09 9.00D-06.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 2.44D-10 1.73D-06.
     10 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 6.28D-12 2.90D-07.
      7 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 2.31D-13 6.22D-08.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 1.80D-14 1.31D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.14D-13
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.221323D+03
      2  0.985809D+01  0.143847D+03
      3  0.362062D+01 -0.968481D+01  0.147254D+03
 Isotropic polarizability for W=    0.088559      170.81 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.279995D+03 -0.246415D+02 -0.569022D+02
      2   0.134421D+03  0.303399D+02  0.349864D+02
      3   0.145574D+03 -0.569845D+01  0.219159D+02
      4   0.193126D+02 -0.970957D+02  0.589457D+01
      5  -0.557711D+01  0.755878D+01 -0.925300D+02
      6   0.119007D+02  0.378945D+02  0.209529D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.372224D+01  0.453810D+01 -0.519319D+01
      2  -0.350284D+02 -0.266534D+01 -0.506572D+02
      3  -0.805301D+01  0.491030D+02 -0.340516D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.166421D+01  0.290813D+01 -0.266513D+02
      2  -0.513251D+02 -0.600615D+01 -0.238104D+03
      3   0.439540D+02  0.231517D+03  0.434194D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.261920D+01  0.157045D+01  0.547439D+01
      2   0.157045D+01 -0.134300D+01 -0.434877D+00
      3   0.547439D+01 -0.434877D+00  0.161394D+01
 OR G Eigenvalues:    -6.8084    -0.9493     5.4094  Iso=     0.7828
 Eigenvectors:
   (1)   0.800241  -0.272452  -0.534213
   (2)   0.179337   0.958794  -0.220347
   (3)   0.572234   0.080526   0.816127
 w=    0.088559 a.u., Optical Rotation Beta=      0.7828 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      192.41 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 5.48D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.46D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.23D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 3.23D-02 2.36D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.60D-03 6.89D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 7.86D-05 1.26D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.88D-06 1.16D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 3.86D-08 1.37D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 6.66D-10 1.99D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 9.65D-12 2.68D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 1.07D-13 2.64D-08.
      9 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 5.72D-15 4.96D-09.
      2 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 2.37D-15 3.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-15
 Solved reduced A of dimension   281 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 2.31D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 2.31D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.48D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.221323D+03  0.985809D+01  0.362062D+01
      2   0.985809D+01  0.143847D+03 -0.968481D+01
      3   0.362062D+01 -0.968481D+01  0.147254D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.372224D+01  0.453810D+01 -0.519319D+01
      2  -0.350284D+02 -0.266534D+01 -0.506572D+02
      3  -0.805301D+01  0.491030D+02 -0.340516D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.279995D+03 -0.246415D+02 -0.569022D+02
      2   0.134421D+03  0.303399D+02  0.349864D+02
      3   0.145574D+03 -0.569845D+01  0.219159D+02
      4   0.193126D+02 -0.970957D+02  0.589457D+01
      5  -0.557711D+01  0.755878D+01 -0.925300D+02
      6   0.119007D+02  0.378945D+02  0.209529D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.809692D+01  0.166316D+01  0.135824D+01 -0.257175D+01 -0.212113D+00
      2   0.166316D+01 -0.105254D+01  0.587066D+00 -0.212113D+00 -0.391422D+01
      3   0.135824D+01  0.587066D+00 -0.331751D+01 -0.214111D+01  0.644270D+00
                 6             7             8             9            10 
      1  -0.214111D+01  0.125271D+02  0.231680D+00  0.110480D+01 -0.284270D+02
      2   0.644270D+00  0.231680D+00 -0.128832D+01  0.149883D+01 -0.154123D+01
      3   0.714277D+00  0.110480D+01  0.149883D+01  0.117255D+01 -0.249210D+01
                11            12            13            14            15 
      1  -0.154123D+01 -0.249210D+01 -0.303919D+01 -0.393359D+01 -0.199255D+01
      2  -0.204352D+01  0.550686D+00 -0.393359D+01 -0.220554D+01 -0.554559D+00
      3   0.550686D+00 -0.265717D+01 -0.199255D+01 -0.554559D+00 -0.156054D+01
                16            17            18            19            20 
      1  -0.547081D+01 -0.210777D+01 -0.188819D+01 -0.104774D+02 -0.237827D+01
      2  -0.210777D+01 -0.544048D+00 -0.827986D+00 -0.237827D+01  0.268910D+01
      3  -0.188819D+01 -0.827986D+00 -0.102937D+01 -0.161981D+01 -0.158188D+01
                21            22            23            24            25 
      1  -0.161981D+01 -0.942175D+01  0.125560D+00 -0.293034D+00  0.699384D+01
      2  -0.158188D+01  0.125560D+00 -0.244754D+01  0.105567D+01  0.214982D+01
      3   0.734850D+00 -0.293034D+00  0.105567D+01  0.264492D+01 -0.240007D+00
                26            27            28            29            30 
      1   0.214982D+01 -0.240007D+00  0.246579D+02  0.302715D+01  0.285805D+01
      2   0.840288D+00  0.163993D+01  0.302715D+01  0.233974D+01  0.846114D-01
      3   0.163993D+01  0.284615D+01  0.285805D+01  0.846114D-01  0.271069D+01
                31            32            33            34            35 
      1   0.220259D+01  0.372974D+01  0.223857D+01  0.258551D+01  0.244146D+01
      2   0.372974D+01  0.165150D+01  0.129624D+01  0.244146D+01  0.176369D+01
      3   0.223857D+01  0.129624D+01  0.115591D+01  0.246043D+01 -0.584286D+00
                36            37            38            39            40 
      1   0.246043D+01 -0.705009D+01 -0.155170D+01 -0.182748D+01  0.367917D+01
      2  -0.584286D+00 -0.155170D+01  0.399299D+00  0.785474D-01  0.101126D+01
      3   0.829126D+00 -0.182748D+01  0.785474D-01  0.310624D+01  0.176253D+01
                41            42            43            44            45 
      1   0.101126D+01  0.176253D+01 -0.120987D+02 -0.111625D+01 -0.106294D+01
      2   0.369172D+01 -0.902968D+00 -0.111625D+01 -0.175872D+00 -0.781039D+00
      3  -0.902968D+00 -0.761377D+00 -0.106294D+01 -0.781039D+00 -0.162048D+01
                46            47            48            49            50 
      1   0.942549D+01  0.203823D+01  0.161124D+01  0.971518D+01 -0.647034D+00
      2   0.203823D+01 -0.155844D+01  0.649958D+00 -0.647034D+00  0.214356D+01
      3   0.161124D+01  0.649958D+00 -0.224597D+00  0.111615D+01 -0.159801D+01
                51            52            53            54            55 
      1   0.111615D+01 -0.671706D+01 -0.149987D+01  0.234442D+00  0.165346D+02
      2  -0.159801D+01 -0.149987D+01 -0.956039D+00 -0.139916D+01 -0.131398D+01
      3  -0.241254D+01  0.234442D+00 -0.139916D+01 -0.269527D+01 -0.239320D+00
                56            57            58            59            60 
      1  -0.131398D+01 -0.239320D+00 -0.479579D+01  0.512119D+01  0.917096D+00
      2   0.240235D+01  0.444840D+00  0.512119D+01  0.583453D+01 -0.356476D+00
      3   0.444840D+00  0.112022D+01  0.917096D+00 -0.356476D+00 -0.114268D+01
                61            62            63            64            65 
      1  -0.635977D+01  0.121167D+01  0.269538D+01 -0.236051D+01  0.450683D+01
      2   0.121167D+01 -0.189981D+01 -0.467562D+00  0.450683D+01 -0.202965D+01
      3   0.269538D+01 -0.467562D+00  0.582638D+01  0.141520D+01 -0.475252D+00
                66            67            68            69            70 
      1   0.141520D+01  0.114099D+02 -0.327192D+01 -0.494440D+00  0.864783D+01
      2  -0.475252D+00 -0.327192D+01 -0.493313D+01  0.748155D+00 -0.734732D+00
      3  -0.220950D+01 -0.494440D+00  0.748155D+00  0.185597D+01 -0.331044D+01
                71            72            73            74            75 
      1  -0.734732D+00 -0.331044D+01 -0.300335D+01 -0.385074D+01 -0.232656D+01
      2   0.172594D+01  0.191989D+01 -0.385074D+01  0.185267D+01  0.663431D+00
      3   0.191989D+01 -0.756204D+01 -0.232656D+01  0.663431D+00  0.280524D+01
                76            77            78            79            80 
      1  -0.588380D+01  0.358086D+01  0.922320D+00 -0.432491D+01  0.800565D+00
      2   0.358086D+01  0.590291D+01 -0.223491D+01  0.800565D+00 -0.245858D+01
      3   0.922320D+00 -0.223491D+01 -0.170446D+01  0.445004D+01 -0.133046D+01
                81            82            83            84            85 
      1   0.445004D+01 -0.364992D+01 -0.445660D+01 -0.287409D+01 -0.523945D+01
      2  -0.133046D+01 -0.445660D+01  0.221439D+01  0.852010D+00  0.222654D+01
      3   0.502596D+01 -0.287409D+01  0.852010D+00  0.186532D+01  0.837030D+00
                86            87            88            89            90 
      1   0.222654D+01  0.837030D+00 -0.408967D+01  0.965937D+00  0.275918D+01
      2   0.270845D+01 -0.150785D+01  0.965937D+00 -0.242603D+01 -0.324073D+01
      3  -0.150785D+01 -0.230756D+01  0.275918D+01 -0.324073D+01  0.485242D+01
                91            92            93            94            95 
      1  -0.328355D+01  0.848270D+00 -0.810437D-01  0.265962D+00 -0.489864D+01
      2   0.848270D+00 -0.223676D+01 -0.770616D+00 -0.489864D+01 -0.385757D+01
      3  -0.810437D-01 -0.770616D+00 -0.163097D+01 -0.227007D+01 -0.265601D+01
                96            97            98            99           100 
      1  -0.227007D+01  0.413173D+01 -0.183490D+01 -0.304235D+01 -0.133281D+01
      2  -0.265601D+01 -0.183490D+01 -0.103111D+01  0.286262D+01 -0.175854D+01
      3   0.180552D+01 -0.304235D+01  0.286262D+01 -0.183476D+01  0.867380D+00
               101           102           103           104           105 
      1  -0.175854D+01  0.867380D+00 -0.310431D+01  0.436301D+00  0.243746D+01
      2   0.195267D+00  0.116732D+01  0.436301D+00  0.874234D-01  0.457398D+00
      3   0.116732D+01  0.669344D+00  0.243746D+01  0.457398D+00 -0.341688D+01
               106           107           108           109           110 
      1   0.140438D+01  0.175080D+01 -0.563430D+00  0.468022D+01  0.227604D+01
      2   0.175080D+01  0.190715D+00 -0.262140D+01  0.227604D+01  0.130291D+01
      3  -0.563430D+00 -0.262140D+01  0.137454D+01 -0.316586D+01 -0.936496D+00
               111           112           113           114           115 
      1  -0.316586D+01  0.495596D+01  0.181841D+01 -0.176018D+01 -0.694713D+01
      2  -0.936496D+00  0.181841D+01  0.419625D+01 -0.196220D+01 -0.105600D+01
      3   0.140208D+01 -0.176018D+01 -0.196220D+01  0.273737D+01  0.359296D+01
               116           117           118           119           120 
      1  -0.105600D+01  0.359296D+01 -0.966543D+00 -0.988992D-01  0.202470D+01
      2  -0.262583D+01  0.238610D+01 -0.988992D-01 -0.129469D+01 -0.141835D+01
      3   0.238610D+01 -0.659668D+01  0.202470D+01 -0.141835D+01 -0.151712D+01
               121           122           123           124           125 
      1  -0.208418D+01  0.549275D+00 -0.129364D+01  0.430806D+01 -0.278412D+01
      2   0.549275D+00 -0.430242D+01  0.121730D+01 -0.278412D+01  0.334463D+01
      3  -0.129364D+01  0.121730D+01  0.843081D+00 -0.144633D+01  0.517625D+00
               126           127           128           129           130 
      1  -0.144633D+01 -0.350178D+01 -0.194175D+01  0.187248D+01 -0.231141D+01
      2   0.517625D+00 -0.194175D+01 -0.182137D+01  0.135691D+01 -0.171028D+01
      3   0.291455D+01  0.187248D+01  0.135691D+01 -0.145906D+01  0.181104D+01
               131           132           133           134           135 
      1  -0.171028D+01  0.181104D+01  0.213605D+01  0.154240D+01 -0.198462D+01
      2  -0.241174D+01  0.194751D+01  0.154240D+01  0.251186D+01 -0.241522D+01
      3   0.194751D+01 -0.242635D+01 -0.198462D+01 -0.241522D+01  0.350156D+01
               136           137           138           139           140 
      1   0.202229D+01 -0.637154D+00  0.208948D+01 -0.668976D+00  0.394975D+00
      2  -0.637154D+00  0.427805D+00 -0.664246D+00  0.394975D+00 -0.120267D+01
      3   0.208948D+01 -0.664246D+00  0.229811D+01 -0.930321D+00  0.143061D+01
               141           142           143           144           145 
      1  -0.930321D+00  0.203328D+01 -0.120278D+01  0.260692D+01  0.407125D+01
      2   0.143061D+01 -0.120278D+01  0.190275D+01 -0.274106D+01  0.150716D+01
      3  -0.310520D+01  0.260692D+01 -0.274106D+01  0.664040D+01 -0.164122D+01
               146           147           148           149           150 
      1   0.150716D+01 -0.164122D+01  0.178474D+01  0.125575D+01 -0.147151D+01
      2   0.123525D+01 -0.823343D+00  0.125575D+01  0.153131D+01 -0.136489D+01
      3  -0.823343D+00  0.127698D+01 -0.147151D+01 -0.136489D+01  0.201491D+01
               151           152           153           154           155 
      1  -0.206661D+01 -0.135302D+01  0.182511D+01 -0.179635D+01  0.548168D+00
      2  -0.135302D+01 -0.195261D+01  0.181960D+01  0.548168D+00 -0.264682D+00
      3   0.182511D+01  0.181960D+01 -0.331858D+01 -0.187591D+01  0.465255D+00
               156           157           158           159           160 
      1  -0.187591D+01  0.297044D+00 -0.287777D+00  0.695176D+00 -0.244346D+01
      2   0.465255D+00 -0.287777D+00  0.849522D+00 -0.113910D+01  0.112747D+01
      3  -0.207843D+01  0.695176D+00 -0.113910D+01  0.277142D+01 -0.252750D+01
               161           162           163           164           165 
      1   0.112747D+01 -0.252750D+01 -0.314562D+01 -0.168041D+01  0.246371D+00
      2  -0.151931D+01  0.220083D+01 -0.168041D+01 -0.169891D+01 -0.229215D+00
      3   0.220083D+01 -0.659385D+01  0.246371D+00 -0.229215D+00 -0.237311D+00
               166           167           168           169           170 
      1  -0.405967D+01 -0.317448D+01 -0.436057D+00  0.360205D+01  0.330256D+00
      2  -0.317448D+01 -0.854148D+01 -0.416595D+00  0.330256D+00  0.106016D+01
      3  -0.436057D+00 -0.416595D+00 -0.701354D+00 -0.573218D+00 -0.899068D+00
               171           172           173           174           175 
      1  -0.573218D+00 -0.851340D+00  0.311300D+00 -0.134651D+01  0.229291D+01
      2  -0.899068D+00  0.311300D+00 -0.441685D+00 -0.169706D+00 -0.703574D+00
      3  -0.295136D+00 -0.134651D+01 -0.169706D+00 -0.120623D+01  0.299939D+00
               176           177           178           179           180 
      1  -0.703574D+00  0.299939D+00 -0.294272D+01 -0.166960D+00 -0.211696D+01
      2  -0.440429D+00 -0.799532D+00 -0.166960D+00 -0.957045D+00 -0.745377D+00
      3  -0.799532D+00  0.734938D+00 -0.211696D+01 -0.745377D+00 -0.706527D+01
               181           182           183           184           185 
      1   0.693842D+00 -0.100000D+01  0.115094D+01 -0.183612D+01  0.339961D+00
      2  -0.100000D+01  0.394460D+00  0.326107D-01  0.339961D+00  0.607047D-01
      3   0.115094D+01  0.326107D-01  0.663173D+00 -0.134323D+00  0.931898D+00
               186           187           188           189           190 
      1  -0.134323D+00  0.188454D+01 -0.347593D-01  0.513121D+00 -0.105594D+01
      2   0.931898D+00 -0.347593D-01  0.117258D+01 -0.869925D+00 -0.139345D+01
      3  -0.836106D+00  0.513121D+00 -0.869925D+00  0.739671D+01  0.527759D+00
               191           192           193           194           195 
      1  -0.139345D+01  0.527759D+00 -0.325631D+01 -0.342931D+01  0.355410D+00
      2  -0.138920D+01  0.185047D+00 -0.342931D+01 -0.832245D+01  0.119186D+01
      3   0.185047D+00 -0.484486D+00  0.355410D+00  0.119186D+01 -0.110426D+01
               196           197           198           199           200 
      1   0.123982D+01  0.521881D+00 -0.114011D+01 -0.188596D+01  0.395006D+00
      2   0.521881D+00  0.153069D+01 -0.106107D+01  0.395006D+00 -0.440312D+00
      3  -0.114011D+01 -0.106107D+01  0.279247D+00 -0.138533D+01 -0.239290D-01
               201           202           203           204           205 
      1  -0.138533D+01  0.117622D+01 -0.967439D+00  0.259524D+00 -0.373769D+01
      2  -0.239290D-01 -0.967439D+00 -0.284308D+00 -0.693854D+00 -0.228427D+00
      3  -0.154450D+01  0.259524D+00 -0.693854D+00  0.751900D+00 -0.339606D+01
               206           207           208           209           210 
      1  -0.228427D+00 -0.339606D+01 -0.751631D+01  0.215873D+01  0.253529D+01
      2  -0.108323D+01  0.209302D+00  0.215873D+01 -0.145466D+01 -0.748583D+00
      3   0.209302D+00 -0.679832D+01  0.253529D+01 -0.748583D+00 -0.176243D+01
               211           212           213           214           215 
      1   0.500763D+01 -0.243024D+01 -0.126898D+01  0.495335D+01 -0.102799D+01
      2  -0.243024D+01  0.147443D+01  0.122649D+01 -0.102799D+01  0.144788D+01
      3  -0.126898D+01  0.122649D+01  0.136384D+01 -0.292385D+01  0.106919D+01
               216           217           218           219           220 
      1  -0.292385D+01 -0.438353D+01  0.334398D+01  0.182977D+01  0.277132D+01
      2   0.106919D+01  0.334398D+01 -0.325452D+01 -0.113250D+01 -0.307169D+01
      3   0.188615D+01  0.182977D+01 -0.113250D+01 -0.145837D+01 -0.117814D+01
               221           222           223           224           225 
      1  -0.307169D+01 -0.117814D+01  0.289881D+01 -0.187853D+01 -0.200447D+01
      2   0.430995D+01  0.181827D+01 -0.187853D+01  0.291002D+01  0.212937D+01
      3   0.181827D+01  0.141871D+01 -0.200447D+01  0.212937D+01  0.180602D+01
               226           227           228           229           230 
      1  -0.433592D+00  0.992592D+00 -0.828155D+00  0.800530D+00 -0.631118D+00
      2   0.992592D+00 -0.776061D+00  0.264500D+00 -0.631118D+00  0.123836D+01
      3  -0.828155D+00  0.264500D+00 -0.108267D+01  0.215816D+00 -0.110430D+01
               231           232           233           234           235 
      1   0.215816D+00 -0.166591D+01  0.638542D+00 -0.148266D+01  0.834578D+01
      2  -0.110430D+01  0.638542D+00 -0.235321D+01  0.235891D+01  0.133287D+01
      3   0.121106D+01 -0.148266D+01  0.235891D+01 -0.629956D+01  0.117858D+01
               236           237           238           239           240 
      1   0.133287D+01  0.117858D+01  0.822902D+00  0.157250D+01  0.204433D+00
      2   0.231440D+01  0.289052D+00  0.157250D+01  0.134913D+01  0.491084D+00
      3   0.289052D+00  0.693041D+00  0.204433D+00  0.491084D+00  0.690421D+00
               241           242           243           244           245 
      1   0.115078D+01  0.372936D+00  0.449158D+00 -0.182279D+00 -0.119294D+01
      2   0.372936D+00  0.849244D+00  0.895345D+00 -0.119294D+01  0.539651D+00
      3   0.449158D+00  0.895345D+00  0.163290D+00  0.124478D+01 -0.251129D+00
               246           247           248           249           250 
      1   0.124478D+01 -0.200142D+01  0.973619D+00 -0.445381D+00  0.211305D+01
      2  -0.251129D+00  0.973619D+00 -0.148831D+01  0.153364D+01 -0.276836D+00
      3   0.113587D+01 -0.445381D+00  0.153364D+01 -0.190443D+01  0.204576D+01
               251           252           253           254           255 
      1  -0.276836D+00  0.204576D+01 -0.792314D+01 -0.382608D+01 -0.416338D+01
      2   0.186927D+01 -0.161124D+01 -0.382608D+01  0.107077D+01  0.389238D+00
      3  -0.161124D+01  0.522792D+01 -0.416338D+01  0.389238D+00  0.173774D+01
               256           257           258           259           260 
      1   0.131524D+01  0.354483D+01  0.112651D+01 -0.383100D+01  0.501634D+00
      2   0.354483D+01  0.412544D+01  0.229984D+01  0.501634D+00  0.136469D+01
      3   0.112651D+01  0.229984D+01 -0.199015D+01  0.195565D+01 -0.317667D+01
               261           262           263           264           265 
      1   0.195565D+01  0.376703D+01 -0.251081D+01 -0.174915D+01 -0.166334D+01
      2  -0.317667D+01 -0.251081D+01  0.227937D+01  0.117864D+01  0.177783D+01
      3   0.968321D-02 -0.174915D+01  0.117864D+01  0.157642D+01  0.925001D+00
               266           267           268           269           270 
      1   0.177783D+01  0.925001D+00 -0.344988D+01  0.255730D+01  0.265975D+01
      2  -0.273490D+01 -0.110215D+01  0.255730D+01 -0.298852D+01 -0.222654D+01
      3  -0.110215D+01 -0.115276D+01  0.265975D+01 -0.222654D+01 -0.287459D+01
               271           272           273           274           275 
      1  -0.155006D+01  0.123693D+01  0.180452D+01  0.566849D+00 -0.909209D+00
      2   0.123693D+01 -0.207830D+01 -0.138504D+01 -0.909209D+00  0.179273D+01
      3   0.180452D+01 -0.138504D+01 -0.222061D+01 -0.539898D+00  0.132060D+01
               276           277           278           279           280 
      1  -0.539898D+00  0.203470D+01 -0.486989D+00 -0.118689D+01  0.410190D+00
      2   0.132060D+01 -0.486989D+00  0.230472D+01  0.264217D+01  0.787557D+00
      3   0.159709D+01 -0.118689D+01  0.264217D+01  0.432667D+01 -0.315507D+00
               281           282           283           284           285 
      1   0.787557D+00 -0.315507D+00  0.868091D+00 -0.217085D-01 -0.696528D-01
      2  -0.640539D+00  0.985839D-01 -0.217085D-01  0.299175D+01 -0.171606D+01
      3   0.985839D-01 -0.467993D+00 -0.696528D-01 -0.171606D+01  0.171853D+01
               286           287           288           289           290 
      1  -0.145281D+01 -0.463683D+00 -0.406161D+00  0.120716D+02  0.415860D+01
      2  -0.463683D+00 -0.328897D+01  0.164267D+01  0.415860D+01  0.281843D+01
      3  -0.406161D+00  0.164267D+01 -0.293406D+01  0.331664D+01  0.127197D+01
               291           292           293           294           295 
      1   0.331664D+01  0.200520D+01  0.184153D+01  0.595289D+00  0.295326D+01
      2   0.127197D+01  0.184153D+01  0.114705D+01  0.498630D+00  0.110926D+01
      3   0.176364D+01  0.595289D+00  0.498630D+00  0.496804D+00  0.194350D+01
               296           297 
      1   0.110926D+01  0.194350D+01
      2   0.759403D+00  0.120643D+01
      3   0.120643D+01  0.143866D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.226282D+01 -0.964308D+00 -0.221840D+01 -0.630369D+01 -0.121834D+01
      2   0.163121D+01 -0.230010D+01  0.193296D+01 -0.529914D+01  0.127926D+01
      3  -0.700048D+01 -0.362548D+01  0.191027D+00  0.106519D+02 -0.108959D+01
                 6             7             8             9            10 
      1  -0.396937D+01 -0.372429D+01  0.272270D+01 -0.492337D+00 -0.997570D+00
      2  -0.845570D+00 -0.543394D+01 -0.132705D+01 -0.743475D+00  0.378338D+01
      3   0.301568D+01 -0.416644D+01 -0.101022D+01  0.295236D+01  0.123457D+02
                11            12            13            14            15 
      1  -0.158834D+01  0.115296D+01 -0.506574D+01  0.477506D+01 -0.633278D+01
      2   0.109337D+01 -0.276693D+01  0.600345D+01  0.259689D+01 -0.302558D+01
      3   0.104977D+01  0.705463D+00  0.142698D+02  0.129620D+01  0.979437D+00
                16            17            18            19            20 
      1   0.663043D+01  0.247538D+00 -0.561953D+01 -0.231771D+01  0.164768D+01
      2  -0.196204D+02 -0.242928D+01  0.160602D+01  0.154164D+01 -0.255486D+01
      3  -0.290812D+01  0.103743D+01 -0.775597D+00  0.240178D+01 -0.556946D+00
                21            22            23            24            25 
      1  -0.802127D+00  0.380288D+01  0.936535D+00 -0.225059D+00  0.298093D+01
      2   0.856248D+01  0.249140D+01 -0.284850D+01  0.325036D+01 -0.928902D+01
      3   0.335969D+01  0.127803D+02  0.333754D+01  0.534737D+00  0.170728D+01
                26            27            28            29            30 
      1   0.366104D+01  0.359863D+01  0.146207D+01 -0.156398D+01  0.430081D+01
      2   0.449506D-01  0.775335D-01 -0.334300D+01  0.913903D+00 -0.250570D+01
      3  -0.148082D+00 -0.200179D+01 -0.120451D+02 -0.222694D+01 -0.246273D+01
                31            32            33            34            35 
      1  -0.178596D+01  0.515900D+01 -0.522917D+01  0.823495D+01  0.176728D+01
      2   0.592795D+01  0.285607D+01 -0.392319D+01 -0.182181D+02 -0.647082D+01
      3   0.131293D+02  0.110977D+01 -0.117062D+01 -0.858443D+01 -0.721153D+00
                36            37            38            39            40 
      1  -0.417697D+01  0.720231D+00 -0.127671D+01  0.239810D+00 -0.451680D+01
      2  -0.293708D+01  0.593603D+01 -0.114852D+01  0.310149D+01 -0.610770D+01
      3  -0.105085D+01  0.196318D+01 -0.192322D+01  0.291193D+01  0.928027D+01
                41            42            43            44            45 
      1  -0.227161D+01 -0.371769D+01 -0.380371D+01  0.170376D+01 -0.235510D+01
      2   0.681026D+00 -0.206530D+01 -0.140600D+01 -0.121631D+00 -0.423109D+00
      3  -0.564282D+00  0.251447D+01  0.768669D+01  0.126537D+01  0.449274D+01
                46            47            48            49            50 
      1  -0.284368D+00  0.249191D+01 -0.129624D+01  0.554806D+01  0.414704D+00
      2  -0.295428D+01 -0.351772D+01  0.860181D+01 -0.451385D+01 -0.297179D+01
      3  -0.110868D+02 -0.304204D+01  0.218711D+01  0.657711D+01  0.123854D+01
                51            52            53            54            55 
      1  -0.222764D+01  0.279068D+01  0.280145D+01  0.801244D+00 -0.181057D+01
      2   0.472552D+01 -0.571196D+01  0.460015D+00 -0.875863D+00  0.517021D+01
      3  -0.784332D+00  0.840958D+01  0.651049D+00 -0.175963D+01 -0.153468D+02
                56            57            58            59            60 
      1   0.188228D+00  0.109755D+00 -0.225495D+00 -0.679423D+01 -0.292292D+01
      2  -0.133198D+01  0.287410D+00 -0.373020D+01  0.636481D+01  0.386386D+01
      3   0.614500D+01  0.166864D+01  0.286188D+02  0.140222D+02 -0.180862D+01
                61            62            63            64            65 
      1   0.130851D+01  0.242194D+01  0.691473D+01  0.190356D+01 -0.395220D+00
      2  -0.204738D+02  0.316346D+01 -0.211964D+02 -0.111094D+02  0.213278D+01
      3   0.956771D+01 -0.687229D+01 -0.547891D+01  0.255836D+02 -0.128321D+02
                66            67            68            69            70 
      1   0.893852D+00  0.125506D+01 -0.880268D+00 -0.269989D+01 -0.129735D+01
      2   0.117368D+02  0.449760D+01 -0.537002D+01 -0.685588D+01  0.113272D+02
      3  -0.208985D+01 -0.123312D+02 -0.196870D+02  0.336945D+01 -0.867165D+01
                71            72            73            74            75 
      1   0.392608D+01  0.166728D+01 -0.107177D+01 -0.348465D+00  0.133656D+01
      2  -0.948724D+01  0.355715D+02  0.147984D+02 -0.354680D+01 -0.145002D+02
      3   0.683630D+01  0.956606D+01 -0.199524D+02  0.111075D+02  0.489635D+01
                76            77            78            79            80 
      1  -0.919914D+00 -0.182025D+01 -0.211282D+01  0.230014D+01  0.142478D+01
      2  -0.536104D+01  0.139760D+02  0.855578D+01 -0.305668D+02  0.713912D+01
      3   0.289228D+02  0.336925D+02 -0.132940D+02  0.644127D+01 -0.140568D+02
                81            82            83            84            85 
      1   0.216866D+01  0.522295D+01 -0.185918D+01 -0.423148D+01 -0.185890D+01
      2  -0.291951D+02  0.104143D+02 -0.401707D+01 -0.547623D+01 -0.443326D+01
      3  -0.103446D+02 -0.283163D+02 -0.450428D+01 -0.209240D+01  0.131075D+01
                86            87            88            89            90 
      1   0.533566D+01  0.358453D+01 -0.637301D+01  0.999335D+01 -0.969118D+01
      2   0.581002D+01  0.881057D+01 -0.132988D+02  0.123416D+02 -0.191026D+02
      3   0.140318D+02 -0.425441D+01 -0.179143D+01 -0.710122D+01 -0.889467D+01
                91            92            93            94            95 
      1  -0.145746D+01 -0.198421D+01  0.972714D+00 -0.424650D+01 -0.196886D+01
      2   0.877300D+01 -0.200206D+01 -0.378497D+00 -0.839376D+01 -0.458328D+01
      3  -0.675795D+01  0.206359D+01  0.206597D+01  0.232847D+02  0.109518D+02
                96            97            98            99           100 
      1  -0.691968D+01  0.368336D+01  0.180927D+01  0.402636D+01  0.177625D+01
      2   0.877498D+01 -0.237446D+02  0.101046D+02 -0.451340D+01 -0.169437D+02
      3   0.850766D+01  0.870212D+01  0.491360D+01 -0.106907D+02  0.153283D+02
               101           102           103           104           105 
      1   0.650081D+01 -0.782952D+00  0.301431D+01  0.511573D+01  0.104850D+01
      2   0.641281D+01  0.557813D+01  0.835990D+01  0.222125D+01 -0.917872D+01
      3  -0.581255D+01 -0.471244D+01  0.513563D+00 -0.308542D+01 -0.511359D+01
               106           107           108           109           110 
      1  -0.309961D+01  0.102478D+01 -0.234867D+01 -0.196075D+01 -0.411724D+01
      2  -0.554939D+01 -0.848765D+01  0.172157D+02 -0.589032D+01 -0.347940D+01
      3  -0.224953D+01 -0.114792D+02  0.796529D+01 -0.105142D+02 -0.798182D+01
               111           112           113           114           115 
      1  -0.743973D+00 -0.893173D+00 -0.574354D+01 -0.261939D+01  0.865243D-01
      2   0.797501D+01 -0.632028D+01 -0.897135D+01  0.102273D+02  0.949003D+01
      3   0.387466D+01 -0.187920D+01 -0.165486D+02  0.784163D+01 -0.282567D+01
               116           117           118           119           120 
      1   0.755687D+01 -0.150211D-02  0.333712D+01 -0.157600D+01 -0.865569D+00
      2   0.100048D+02 -0.302010D+02  0.974112D+01 -0.669450D+01 -0.315757D+01
      3   0.143780D+02 -0.898928D+01  0.641572D+00  0.236280D+01  0.309848D+01
               121           122           123           124           125 
      1   0.123041D+01  0.166937D+01 -0.594482D+01 -0.350625D+01  0.305264D+01
      2  -0.103067D+01  0.465452D+01  0.420662D+00 -0.696735D+01  0.151423D+01
      3   0.196486D+01  0.185478D+02 -0.419592D+01  0.654235D+01 -0.861685D+01
               126           127           128           129           130 
      1   0.578598D+01  0.329575D+00 -0.194403D+01 -0.915740D+00  0.697900D+00
      2   0.110782D+02  0.552665D+01  0.142838D+01 -0.236442D+00  0.176205D+01
      3   0.111927D+01  0.447898D+01 -0.230686D+00 -0.115102D+01  0.413720D+01
               131           132           133           134           135 
      1  -0.426003D+00 -0.318331D+01 -0.674865D+00  0.176349D+01  0.192226D+01
      2   0.511208D+00  0.477842D+00 -0.279569D+01  0.361246D-01 -0.165500D+01
      3  -0.116351D+01 -0.494964D+00 -0.162546D+01  0.161874D+01  0.575728D-01
               136           137           138           139           140 
      1   0.142246D+01  0.102789D+01  0.218630D+01 -0.508969D+00 -0.742639D+00
      2  -0.356286D+01  0.342147D+00 -0.820262D+00  0.476614D+00  0.595129D-01
      3  -0.316724D+01 -0.344572D+00 -0.180381D+01  0.170336D+01  0.671728D+00
               141           142           143           144           145 
      1  -0.284696D+01  0.558649D+00  0.313958D+01  0.234485D+01 -0.114308D+01
      2  -0.123746D+01 -0.448642D+01  0.204839D+00  0.870002D+00  0.723664D+01
      3   0.549067D+00 -0.234168D+01 -0.759782D+00 -0.159222D+01  0.365599D+01
               146           147           148           149           150 
      1  -0.254096D+01 -0.294624D+00 -0.873517D+00 -0.141406D+01 -0.181164D+01
      2   0.156326D+01 -0.764336D+00  0.268187D+01  0.777575D+00  0.469526D+00
      3  -0.727957D+00 -0.717432D+00  0.264507D+01 -0.942656D+00 -0.152958D-01
               151           152           153           154           155 
      1   0.411673D+00  0.273920D+01  0.437191D+00 -0.216894D+00  0.131576D+01
      2  -0.246000D+01 -0.438751D+00 -0.119621D+01 -0.396298D+01  0.493827D+00
      3  -0.558045D+00  0.201130D+01 -0.236663D+00 -0.134333D+01 -0.485412D+00
               156           157           158           159           160 
      1   0.573171D+00  0.157834D+00 -0.124093D+01 -0.102594D+01 -0.164312D+01
      2  -0.735714D+00  0.300265D+00  0.159011D+00 -0.134834D+01 -0.527027D+01
      3  -0.341161D+00  0.125546D+01  0.651143D+00 -0.165178D+00 -0.717762D+00
               161           162           163           164           165 
      1   0.456337D+01 -0.123679D+01  0.125760D+01  0.112410D+01 -0.982195D+00
      2   0.379142D+00  0.166024D+01 -0.359196D+01 -0.654736D+00  0.220088D+01
      3  -0.139733D+01  0.102646D+00 -0.151861D+01 -0.489288D+01 -0.764428D+00
               166           167           168           169           170 
      1   0.158328D+01  0.591178D+01 -0.308411D+01 -0.104993D+01 -0.991839D+00
      2  -0.141114D+01 -0.238973D+01  0.259331D+01  0.178217D+01  0.275367D+01
      3  -0.273649D+01 -0.236076D+02 -0.118669D+01 -0.235899D+01  0.326967D+01
               171           172           173           174           175 
      1   0.123425D+00 -0.175206D+01  0.515386D+00 -0.104800D+01 -0.116733D+00
      2   0.114507D+01  0.481629D+01  0.605647D+00  0.442610D+01  0.104730D+01
      3  -0.165484D+01  0.285040D+01 -0.264847D+01  0.898705D+00 -0.210439D+01
               176           177           178           179           180 
      1  -0.507474D+00  0.251260D+00 -0.195757D+01  0.296743D+01 -0.771565D+01
      2   0.175133D+01 -0.265457D+01  0.693358D+00  0.200688D+01  0.215309D+02
      3  -0.689421D+00 -0.240382D+01  0.209216D+01 -0.335034D+01  0.930916D+00
               181           182           183           184           185 
      1  -0.137959D+01  0.787442D+00 -0.256102D+00  0.297512D+00 -0.227136D+00
      2  -0.695481D+01  0.625688D+00 -0.339729D+01  0.205948D+01 -0.434865D+01
      3  -0.437578D+01  0.123942D+01 -0.337930D+00  0.389300D+01  0.198910D+00
               186           187           188           189           190 
      1  -0.549130D+00 -0.703443D+00  0.342998D+01 -0.129087D+01  0.176753D+00
      2   0.409653D+01 -0.782160D+01  0.417925D+01 -0.319840D+02 -0.310575D+01
      3   0.402221D+01 -0.787513D+00  0.462329D+01 -0.396973D+01 -0.733789D+01
               191           192           193           194           195 
      1   0.132112D+00 -0.686838D+00  0.215211D+00  0.303517D+00 -0.337117D+01
      2  -0.991606D+00  0.331668D+01 -0.165445D+01 -0.727840D+01  0.708222D+01
      3  -0.806858D+01  0.696171D+00 -0.133551D+02 -0.454834D+02  0.664559D+01
               196           197           198           199           200 
      1  -0.558927D+00  0.417453D+00  0.413336D+00 -0.724731D+00  0.549894D+00
      2   0.488683D+01  0.574117D+01 -0.139792D+01  0.754621D+01  0.169192D+00
      3   0.173662D+01  0.847886D+01 -0.486745D+01  0.308322D+01 -0.360912D+01
               201           202           203           204           205 
      1  -0.901901D+00  0.232044D+00 -0.417441D+00 -0.423987D+00 -0.120511D+01
      2   0.982706D+01 -0.915576D+00  0.354525D+01 -0.430382D+01  0.151952D+02
      3   0.592083D+00 -0.447098D+01 -0.101981D+01 -0.369736D+01  0.452072D+00
               206           207           208           209           210 
      1   0.307083D+01 -0.287141D+01  0.911635D+00 -0.977671D+00  0.115961D-02
      2  -0.152178D+01  0.391944D+02 -0.135526D+02  0.417404D+01  0.123982D+02
      3  -0.681061D+01  0.345701D+01  0.145658D+02 -0.117347D+02 -0.540710D+01
               211           212           213           214           215 
      1  -0.444011D+00  0.106152D+01 -0.603665D+00 -0.638316D+00  0.186371D+01
      2   0.650649D+01 -0.699881D+01 -0.885187D+01  0.146325D+02 -0.619071D+01
      3  -0.138762D+02  0.102282D+02  0.760627D+01 -0.719349D+01  0.984205D+01
               216           217           218           219           220 
      1   0.147161D+00 -0.381782D+01  0.174558D+01  0.449608D+01  0.278526D+01
      2  -0.110946D+02 -0.671793D+01  0.444734D+01  0.728147D+01  0.402581D+01
      3   0.733912D+01  0.494085D+01 -0.910093D+01 -0.110290D+01 -0.395929D+01
               221           222           223           224           225 
      1  -0.309825D+01 -0.456284D+01  0.428465D+01 -0.254857D+01 -0.407155D+01
      2  -0.702546D+01 -0.658208D+01  0.634969D+01 -0.826847D+01 -0.744050D+01
      3   0.126161D+02  0.480751D+01 -0.121797D+01  0.919525D+01  0.513258D+01
               226           227           228           229           230 
      1   0.164445D+01 -0.990911D-01  0.221406D+01 -0.535894D+00  0.158317D+01
      2   0.340583D+01 -0.100625D+01  0.452471D+01 -0.370048D+00  0.382648D+01
      3   0.405192D+01 -0.234283D+01 -0.419838D-01  0.261449D+00  0.364426D+01
               231           232           233           234           235 
      1  -0.387353D+01  0.273676D+01 -0.138114D+01  0.137545D+02 -0.139923D+01
      2  -0.421423D+01  0.182392D+01 -0.867050D+01  0.240437D+02 -0.440189D+01
      3  -0.363299D+01 -0.126291D+01 -0.913251D+01  0.755790D+01  0.270786D+02
               236           237           238           239           240 
      1  -0.147592D+00 -0.245429D+01 -0.176273D+00 -0.886332D+00 -0.194762D+01
      2  -0.847047D+00 -0.119834D+01 -0.568042D+00 -0.183619D+01 -0.116323D+01
      3   0.972869D+01  0.367259D+01  0.105012D+02  0.687002D+01  0.257766D+01
               241           242           243           244           245 
      1  -0.207793D+01 -0.247649D+00 -0.641059D-01 -0.198919D+01  0.887852D+00
      2  -0.443433D+01 -0.277151D+01 -0.362502D+00  0.444792D+01  0.518501D+00
      3   0.348396D+01  0.365279D+01  0.438779D+01  0.411720D+01 -0.233248D+01
               246           247           248           249           250 
      1  -0.703050D+00  0.704743D+00 -0.295992D+01  0.699616D+00 -0.114919D+01
      2   0.333490D+01  0.139021D+01  0.427932D+01 -0.569718D+01  0.194556D+01
      3   0.121250D+01 -0.563536D+00  0.478317D+01 -0.495060D+01  0.310971D+00
               251           252           253           254           255 
      1   0.442334D+01 -0.267201D+01  0.394268D+01  0.133262D+01 -0.510990D+01
      2  -0.529276D+01  0.143574D+02 -0.592466D+01  0.464449D+01  0.127874D+02
      3  -0.634655D+01  0.599778D+01 -0.355822D+01 -0.146629D+02 -0.984954D+01
               256           257           258           259           260 
      1   0.298834D+01 -0.937175D-01  0.766584D+01 -0.270638D+01  0.132116D+02
      2   0.264763D+01  0.451423D+01 -0.951004D+01  0.867465D+01 -0.117404D+02
      3  -0.140490D+02 -0.974377D+01 -0.723715D+01 -0.817987D+01 -0.449090D+01
               261           262           263           264           265 
      1  -0.367635D+01 -0.246171D+01  0.113794D+01  0.280406D+01  0.195674D+01
      2  -0.135447D+01 -0.583203D+01  0.497405D+01  0.620171D+01  0.322156D+01
      3   0.146339D+02  0.471983D+01 -0.673069D+01 -0.213209D+01 -0.355838D+01
               266           267           268           269           270 
      1  -0.186515D+01 -0.225027D+01  0.355358D+01 -0.180353D+01 -0.457069D+01
      2  -0.460359D+01 -0.482410D+01  0.880210D+01 -0.864791D+01 -0.121386D+02
      3   0.821922D+01  0.305227D+01 -0.520562D+01  0.957233D+01  0.586642D+01
               271           272           273           274           275 
      1  -0.265037D+01 -0.991314D+00  0.408846D+01 -0.487039D+00 -0.567559D+00
      2   0.908395D+01 -0.519255D+01 -0.816655D+01 -0.240836D+01  0.530714D+01
      3  -0.904905D+01  0.751910D+01  0.784356D+01  0.571263D+01 -0.690150D+01
               276           277           278           279           280 
      1  -0.312832D+01  0.273377D+01 -0.808101D+00 -0.606098D+01  0.252154D+01
      2   0.530805D+01 -0.817541D+01  0.842400D+01  0.139315D+02 -0.208436D+01
      3  -0.544535D+01  0.644923D+01 -0.768350D+01 -0.114208D+02 -0.330892D+01
               281           282           283           284           285 
      1  -0.850904D+00  0.198308D+01 -0.142040D+00  0.711311D+01 -0.727365D+01
      2  -0.247602D+00 -0.136595D+01 -0.835002D+00 -0.542108D+01  0.544742D+01
      3   0.281719D+01 -0.150979D+01  0.293777D+01 -0.942658D+01  0.572024D+01
               286           287           288           289           290 
      1   0.141074D+01 -0.535961D+01  0.112362D+02 -0.145680D+01  0.183998D+01
      2  -0.275185D+01  0.571401D+01 -0.941877D+01 -0.208537D+01  0.145657D+00
      3  -0.294479D+01  0.994155D+01 -0.695254D+01  0.794002D+01 -0.553700D+01
               291           292           293           294           295 
      1  -0.305944D+01  0.796091D+00  0.612294D+00 -0.201191D+01 -0.260427D+01
      2   0.501436D+01 -0.470754D-01 -0.524008D+00  0.217717D+01  0.223079D+01
      3   0.148525D+01 -0.825700D+00 -0.121371D+01 -0.740738D-01  0.200937D+01
               296           297 
      1  -0.641620D+00 -0.126962D+01
      2   0.271045D+01  0.312966D+01
      3  -0.131027D+01 -0.879105D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.943842D+01 -0.117465D+02  0.209721D+02  0.139087D+02 -0.137279D+02
      2  -0.348610D+01  0.382671D+01 -0.266996D+01 -0.870089D+00  0.214941D+02
      3   0.129245D+02  0.791975D+01 -0.183021D+02 -0.130386D+02 -0.776618D+01
      4  -0.103495D+02 -0.614410D+01  0.849277D+01  0.156161D+01 -0.441375D-01
      5   0.101554D+02  0.623745D+01  0.400906D+01  0.818522D+01  0.305166D+01
      6   0.568588D+01 -0.300110D+01  0.325732D+01  0.630359D+01  0.904894D+00
                 6             7             8             9            10 
      1   0.231869D+01 -0.355542D+02 -0.139024D+02  0.853624D+01  0.524562D+02
      2  -0.443464D+01  0.116097D+02  0.682992D+01 -0.962274D+01 -0.203013D+02
      3   0.211596D+01  0.239445D+02  0.707246D+01  0.108650D+01 -0.321549D+02
      4   0.347386D+01 -0.361831D+01  0.233369D+00 -0.534546D+01  0.154681D+00
      5  -0.698085D+01  0.762005D+01 -0.679683D+01  0.310764D+01  0.292025D+01
      6   0.492143D+00 -0.113249D+02 -0.696542D+01  0.791692D+01  0.197708D+01
                11            12            13            14            15 
      1  -0.480714D+00  0.435077D+01 -0.748653D+01 -0.630349D+01  0.891819D+01
      2   0.256145D+01 -0.468688D+01  0.430573D+01  0.650850D+01 -0.396679D+01
      3  -0.208073D+01  0.336104D+00  0.318079D+01 -0.205003D+00 -0.495140D+01
      4   0.279076D+01 -0.409188D+01  0.830082D+01  0.257197D+01  0.809312D+00
      5  -0.410177D+01  0.380168D+01  0.133991D+02 -0.297926D+00  0.156288D+01
      6  -0.110906D+01  0.339657D+01  0.419441D+01  0.356396D+01  0.113630D+02
                16            17            18            19            20 
      1   0.880481D+01  0.115007D+02 -0.156755D+02  0.136746D+02  0.191661D+02
      2   0.281811D+01  0.491818D+01  0.384845D+01  0.333034D+01 -0.142048D+02
      3  -0.116229D+02 -0.164189D+02  0.118271D+02 -0.170049D+02 -0.496133D+01
      4   0.191516D+02  0.144577D+01 -0.109329D+01  0.404438D+01  0.358196D+01
      5  -0.945416D+01  0.567101D-01  0.291293D+01 -0.149825D+02  0.172790D+01
      6   0.485949D+01  0.588215D+01 -0.529248D+01 -0.241710D+01  0.473793D+01
                21            22            23            24            25 
      1  -0.182712D+02 -0.878820D+01 -0.210654D+01 -0.162101D+02  0.147091D+02
      2   0.119520D+02  0.125510D+01  0.112122D+02 -0.522628D+01 -0.416764D+01
      3   0.631920D+01  0.753310D+01 -0.910569D+01  0.214364D+02 -0.105415D+02
      4  -0.101622D+00  0.120652D+02 -0.602053D+01 -0.806242D+00  0.229198D+01
      5  -0.111513D+02 -0.336988D+01 -0.698040D+00 -0.250804D+00  0.788061D+01
      6  -0.654771D+01 -0.337769D+01 -0.244202D+01  0.265301D+00  0.125971D+02
                26            27            28            29            30 
      1  -0.743218D+01  0.200515D+01  0.596887D+01  0.250592D+01  0.480091D+00
      2  -0.138974D+01 -0.287582D+01 -0.536764D-01 -0.218064D+01 -0.300240D+01
      3   0.882193D+01  0.870678D+00 -0.591519D+01 -0.325281D+00  0.252231D+01
      4  -0.229505D+01  0.849262D+01  0.244176D+01  0.549934D+01 -0.146224D+01
      5   0.792765D+01 -0.627836D+01  0.738102D+01 -0.869455D+00  0.649266D+01
      6   0.191433D+01  0.131609D+02  0.652915D+01  0.272676D+01 -0.798946D+00
                31            32            33            34            35 
      1  -0.107124D+02 -0.864115D+01  0.102790D+02  0.790996D+00  0.129958D+02
      2  -0.831253D+00  0.251100D+01 -0.445082D+01  0.517253D+01  0.349320D+01
      3   0.115436D+02  0.613015D+01 -0.582817D+01 -0.596353D+01 -0.164890D+02
      4   0.781886D+01  0.270848D+01  0.272224D+01  0.207845D+02  0.335456D+01
      5   0.180486D+02  0.347954D+01  0.113878D+01 -0.619897D+01 -0.335550D+01
      6   0.307263D+01  0.484610D+01  0.103794D+02  0.221305D+01  0.595433D+01
                36            37            38            39            40 
      1  -0.173667D+02  0.192067D+01 -0.899325D+01  0.229922D+02  0.113454D+02
      2   0.430539D+01 -0.849846D+01  0.202902D+01 -0.536729D+01  0.617948D+00
      3   0.130613D+02  0.657779D+01  0.696424D+01 -0.176249D+02 -0.119633D+02
      4  -0.362666D+01 -0.133790D+02 -0.548116D+01  0.581254D+01  0.516205D+01
      5  -0.145777D+01  0.107398D+02  0.356065D+01  0.441727D+01  0.435066D+01
      6  -0.718307D+01  0.438456D+01 -0.371458D+01 -0.130194D+01  0.356566D+01
                41            42            43            44            45 
      1  -0.583284D+01 -0.117055D+01 -0.200329D+02 -0.115133D+02  0.104935D+02
      2   0.121742D+02 -0.159649D+01  0.307347D+01  0.255721D+01 -0.829305D+01
      3  -0.634138D+01  0.276704D+01  0.169595D+02  0.895606D+01 -0.220045D+01
      4   0.246627D+00  0.954937D+00 -0.739273D+01 -0.409207D+01 -0.582060D+01
      5   0.261722D+01 -0.781667D+01  0.882110D+01 -0.542394D+01  0.189923D+01
      6   0.266454D+01  0.236746D+01 -0.126000D+02 -0.450433D+01  0.817670D+01
                46            47            48            49            50 
      1  -0.284547D+01  0.116454D+02 -0.162112D+02 -0.213174D+02  0.288561D+01
      2   0.100895D+02 -0.620182D+01  0.995308D+01  0.779492D+01  0.450109D+01
      3  -0.724403D+01 -0.544358D+01  0.625811D+01  0.135224D+02 -0.738671D+01
      4   0.840787D+01  0.754764D+01 -0.127446D+01  0.134118D+02 -0.424247D+01
      5  -0.146414D+02  0.116234D+01 -0.885003D+01 -0.748036D+01 -0.521385D+00
      6   0.376624D+00  0.324775D+01 -0.573950D+01 -0.279458D+01  0.208634D+01
                51            52            53            54            55 
      1  -0.211765D+02  0.225926D+02 -0.669328D+01  0.645199D+00 -0.528730D+02
      2   0.255149D+00 -0.612290D+01 -0.101797D+01  0.425407D+00  0.195838D+02
      3   0.209213D+02 -0.164697D+02  0.771125D+01 -0.107061D+01  0.332892D+02
      4  -0.336390D-01  0.222561D+01 -0.131425D+01  0.540754D+01  0.996880D+01
      5   0.312712D-01  0.555917D+01  0.487234D+01 -0.620936D+01  0.696893D+01
      6   0.345202D+01  0.857151D+01  0.341676D+01  0.157657D+02  0.139204D+01
                56            57            58            59            60 
      1   0.126707D+02  0.612012D+01  0.441529D+02 -0.106142D+02 -0.582094D+01
      2  -0.879052D+01 -0.970315D+00 -0.321611D+02 -0.128816D+02  0.118672D+01
      3  -0.388014D+01 -0.514980D+01 -0.119918D+02  0.234958D+02  0.463423D+01
      4  -0.173690D+02 -0.244764D+01 -0.343538D+02 -0.424251D+02  0.256239D+01
      5  -0.254965D+01 -0.776136D+01 -0.582741D+01  0.392567D+01  0.712575D+01
      6  -0.192163D+01 -0.104477D+01 -0.364903D+01 -0.191325D+01  0.180283D+01
                61            62            63            64            65 
      1   0.417875D+02 -0.873263D+01 -0.251787D+01 -0.273230D+02 -0.372436D+02
      2  -0.121555D+02  0.617691D+01  0.145045D+02  0.195315D+02  0.155916D+02
      3  -0.296320D+02  0.255572D+01 -0.119866D+02  0.779153D+01  0.216520D+02
      4  -0.762089D+01  0.131761D+02  0.307821D+01 -0.404225D+02  0.157708D+02
      5  -0.208013D+02  0.340950D+01 -0.404458D+02 -0.151578D+02  0.397364D+01
      6  -0.203004D+01  0.598921D+00 -0.656225D+01  0.197582D+01  0.146347D+01
                66            67            68            69            70 
      1  -0.122662D+02 -0.748371D+02  0.295693D+02  0.415687D+00 -0.467239D+02
      2   0.826043D+01  0.382400D+02 -0.176502D+02 -0.207972D+00  0.199025D+02
      3   0.400581D+01  0.365971D+02 -0.119191D+02 -0.207716D+00  0.268215D+02
      4   0.372448D+01  0.267402D+02  0.401296D+02 -0.678346D+01  0.602922D+01
      5   0.166883D+02  0.645471D+01 -0.797876D+01 -0.138008D+02  0.335840D+02
      6  -0.455157D+00 -0.124972D+01  0.270838D+01 -0.616813D+00 -0.138039D+01
                71            72            73            74            75 
      1   0.216276D+01  0.299167D+02  0.297924D+02  0.445876D+02  0.271569D+02
      2  -0.148263D+01 -0.725207D+01 -0.134018D+02 -0.255027D+02 -0.125265D+02
      3  -0.680125D+00 -0.226646D+02 -0.163906D+02 -0.190849D+02 -0.146304D+02
      4  -0.130555D+02 -0.155025D+02  0.451719D+02 -0.201445D+02 -0.729844D+01
      5  -0.150288D+02  0.623395D+02  0.300148D+02 -0.823953D+01 -0.322689D+02
      6   0.475321D+01  0.573711D+00 -0.230753D+00  0.142469D+01 -0.291445D+00
                76            77            78            79            80 
      1   0.619369D+02 -0.302658D+02 -0.125034D+02  0.447480D+02 -0.102643D+02
      2  -0.371008D+02  0.609637D+01  0.811349D+01 -0.187258D+02  0.730912D+01
      3  -0.248361D+02  0.241695D+02  0.438996D+01 -0.260222D+02  0.295523D+01
      4  -0.389587D+02 -0.633471D+02  0.251669D+02 -0.905192D+01  0.256404D+02
      5  -0.120598D+02  0.276481D+02  0.186552D+02 -0.533649D+02  0.154735D+02
      6   0.389538D+01  0.405941D+01 -0.883127D+00  0.250345D+00 -0.143397D+01
                81            82            83            84            85 
      1  -0.429810D+02  0.399888D+02  0.297524D+02  0.211334D+02  0.333242D+02
      2   0.287618D+02 -0.312663D+02 -0.914136D+01 -0.845485D+01 -0.120682D+02
      3   0.142192D+02 -0.872251D+01 -0.206110D+02 -0.126785D+02 -0.212560D+02
      4   0.156645D+02  0.275634D+02 -0.276868D+02 -0.142512D+02 -0.315258D+02
      5  -0.558860D+02  0.210763D+02 -0.101197D+02 -0.158922D+02 -0.959370D+01
      6  -0.296811D+01 -0.136246D+02  0.344000D+01  0.879517D+01  0.507288D+01
                86            87            88            89            90 
      1  -0.282404D+02 -0.285221D+01  0.283221D+02 -0.658505D+01 -0.996195D+01
      2   0.215571D+02 -0.440209D+01 -0.862274D+01 -0.366096D+01  0.370346D+01
      3   0.668329D+01  0.725430D+01 -0.196994D+02  0.102460D+02  0.625849D+01
      4  -0.134511D+02  0.134453D+02 -0.156779D+02  0.221761D+02  0.313267D+02
      5   0.132311D+02  0.189399D+02 -0.251040D+02  0.268571D+02 -0.382050D+02
      6  -0.101538D+02 -0.951053D+01  0.120749D+02 -0.140419D+02  0.177644D+02
                91            92            93            94            95 
      1   0.973869D+01  0.160686D+02  0.930497D+01  0.163673D+02 -0.103992D+01
      2  -0.546612D+01 -0.118004D+02 -0.174663D+01 -0.179359D+02 -0.501739D+01
      3  -0.427257D+01 -0.426818D+01 -0.755834D+01  0.156862D+01  0.605731D+01
      4   0.119557D+02 -0.941179D+01 -0.267207D+01 -0.311723D+02 -0.227659D+02
      5   0.596482D+01 -0.276360D+01 -0.813314D+01 -0.144947D+02 -0.165856D+02
      6   0.164001D+01 -0.434433D+01 -0.187405D+01 -0.109578D+02 -0.980291D+01
                96            97            98            99           100 
      1  -0.595027D+01  0.222526D+02 -0.811779D+01 -0.101840D+02 -0.445735D+01
      2  -0.723928D+01 -0.763255D+01 -0.518959D+01  0.132862D+02  0.292026D+01
      3   0.131895D+02 -0.146201D+02  0.133074D+02 -0.310217D+01  0.153709D+01
      4  -0.159699D+02 -0.135595D+02 -0.687911D+01  0.196840D+02 -0.108329D+02
      5   0.143207D+02 -0.203841D+02  0.202167D+02 -0.158273D+02  0.119970D+02
      6  -0.798714D+01  0.143048D+01 -0.153996D+01  0.611478D+01  0.296287D+01
               101           102           103           104           105 
      1  -0.113771D+02  0.215099D+01 -0.167164D+02  0.658207D-01  0.168497D+02
      2   0.110109D+02 -0.648965D+01  0.177974D+02 -0.715303D+01 -0.163056D+02
      3   0.366195D+00  0.433866D+01 -0.108096D+01  0.708721D+01 -0.544106D+00
      4  -0.452816D+01  0.108746D+02 -0.738026D+01  0.627504D+01  0.153041D+01
      5   0.112013D+02 -0.787470D+00  0.269527D+02  0.184187D+01 -0.236832D+02
      6   0.378950D+01 -0.107017D+01 -0.531762D+00  0.350573D+01 -0.147428D+01
               106           107           108           109           110 
      1   0.208716D+02  0.152523D+02 -0.304284D+00  0.458445D+02  0.164512D+02
      2  -0.147272D+02 -0.954548D+01  0.861357D+01 -0.288577D+02 -0.101396D+02
      3  -0.614445D+01 -0.570681D+01 -0.830928D+01 -0.169868D+02 -0.631160D+01
      4   0.193640D+02  0.124572D+02 -0.220619D+02  0.203662D+02  0.192405D+02
      5  -0.936348D+01 -0.218233D+02  0.250164D+02 -0.343208D+02 -0.113726D+02
      6  -0.427570D+01 -0.401884D+01  0.371136D+01 -0.509013D+01 -0.417845D+01
               111           112           113           114           115 
      1  -0.236541D+02  0.288067D+02  0.727229D+01 -0.850084D+01 -0.386442D+02
      2   0.172095D+02 -0.162739D+02 -0.346518D+01  0.993488D+01  0.264566D+02
      3   0.644453D+01 -0.125328D+02 -0.380711D+01 -0.143404D+01  0.121876D+02
      4  -0.894793D+01  0.218920D+02  0.344457D+02 -0.172351D+02 -0.107922D+02
      5   0.228904D+02 -0.190534D+02 -0.177040D+02  0.229819D+02  0.412169D+02
      6   0.353394D+01 -0.579417D+01 -0.795517D+01  0.110104D+02  0.240425D+01
               116           117           118           119           120 
      1  -0.489660D+01  0.912229D+01  0.161939D+01 -0.702890D+01  0.144759D+02
      2   0.867985D+01 -0.285004D+02  0.156260D+01  0.244816D+01 -0.599919D+01
      3  -0.378325D+01  0.193781D+02 -0.318198D+01  0.458074D+01 -0.847671D+01
      4  -0.268923D+02  0.215073D+02 -0.102586D+01 -0.225876D+01 -0.160801D+02
      5   0.213025D+02 -0.614483D+02  0.193038D+02 -0.125005D+02 -0.763668D+01
      6   0.119048D+02 -0.880653D+01 -0.808781D+01  0.630631D+01  0.398916D+01
               121           122           123           124           125 
      1  -0.920142D+01 -0.109150D+02 -0.111148D+02  0.271891D+02 -0.177447D+02
      2  -0.140828D+01  0.281266D+02  0.527325D+01 -0.953087D+01  0.355151D+01
      3   0.106097D+02 -0.172116D+02  0.584159D+01 -0.176583D+02  0.141932D+02
      4   0.159450D+02 -0.381438D+02  0.126118D+02 -0.300882D+02  0.292627D+02
      5  -0.138077D+02  0.141782D+02  0.299588D+01 -0.996539D+01  0.469374D+01
      6   0.583833D+01 -0.194705D+01  0.420513D+01  0.660177D+01  0.229701D+01
               126           127           128           129           130 
      1  -0.112324D+02  0.195022D+01 -0.346246D+01  0.167563D+01 -0.924006D+00
      2   0.527811D+01  0.437315D+00  0.528671D+01 -0.487430D+00  0.154124D+01
      3   0.595425D+01 -0.238753D+01 -0.182425D+01 -0.118820D+01 -0.617232D+00
      4   0.690986D+01  0.109410D+02  0.928453D+01 -0.689770D+01  0.878053D+01
      5   0.242336D+02 -0.128191D+02 -0.786182D+01  0.101161D+02 -0.100283D+02
      6  -0.921447D+01 -0.874165D+01 -0.750256D+01  0.754170D+01 -0.819999D+01
               131           132           133           134           135 
      1  -0.869897D+01  0.790040D+01  0.421834D+01  0.105652D+02 -0.128721D+02
      2   0.824429D+01 -0.318901D+01 -0.658831D+00 -0.668692D+01  0.190231D+01
      3   0.454684D+00 -0.471139D+01 -0.355951D+01 -0.387832D+01  0.109698D+02
      4   0.106707D+02 -0.729204D+01 -0.744554D+01 -0.753536D+01  0.802951D+01
      5  -0.897685D+01  0.100744D+02  0.109639D+02  0.916516D+01 -0.145188D+02
      6  -0.123233D+02  0.117416D+02  0.893625D+01  0.136246D+02 -0.156351D+02
               136           137           138           139           140 
      1  -0.286969D+01  0.198029D+01 -0.587446D+01  0.367489D+01 -0.774700D+01
      2  -0.328532D+01  0.154203D+00 -0.391221D+01  0.207182D+00  0.198562D+01
      3   0.615501D+01 -0.213449D+01  0.978667D+01 -0.388207D+01  0.576138D+01
      4  -0.489614D+01  0.404720D+01 -0.532056D+01  0.317939D+01 -0.357374D+01
      5   0.895404D+01 -0.377340D+01  0.111792D+02 -0.391151D+01  0.322548D+01
      6  -0.504450D+01  0.349290D+01 -0.517230D+01  0.381208D+01 -0.829026D+01
               141           142           143           144           145 
      1   0.126438D+02 -0.756043D+01  0.121569D+02 -0.276060D+02  0.554536D+01
      2   0.609627D+00 -0.219236D+01 -0.217051D+01 -0.617730D+01 -0.314182D+01
      3  -0.132534D+02  0.975279D+01 -0.998636D+01  0.337833D+02 -0.240354D+01
      4   0.427408D+01 -0.612932D+01  0.652676D+01 -0.952245D+01  0.501175D+01
      5  -0.466291D+01  0.103829D+02 -0.576687D+01  0.157323D+02 -0.106294D+02
      6   0.112703D+02 -0.784493D+01  0.130517D+02 -0.209164D+02 -0.362578D+01
               146           147           148           149           150 
      1  -0.135365D+01  0.723946D+00 -0.260004D+01 -0.550621D+01  0.616094D+01
      2   0.172903D+01  0.126084D+01  0.712674D+00  0.390216D+01 -0.553830D+00
      3  -0.375382D+00 -0.198478D+01  0.188736D+01  0.160405D+01 -0.560711D+01
      4   0.502894D+01 -0.290528D+01  0.498191D+01  0.563609D+01 -0.334443D+01
      5  -0.405727D+01  0.749793D+01 -0.643229D+01 -0.574672D+01  0.746884D+01
      6  -0.329154D+01  0.354567D+01 -0.430228D+01 -0.686115D+01  0.658178D+01
               151           152           153           154           155 
      1   0.344195D+01  0.639191D+01 -0.101114D+02 -0.876013D+00  0.428643D+00
      2   0.842094D+00 -0.275602D+01 -0.141437D+01 -0.424541D+01  0.113970D+01
      3  -0.428404D+01 -0.363588D+01  0.115258D+02  0.512142D+01 -0.156835D+01
      4  -0.457957D+01 -0.413040D+01  0.371773D+01 -0.303530D+01  0.273385D+01
      5   0.904484D+01  0.554149D+01 -0.116485D+02  0.762128D+01 -0.294604D+01
      6   0.524533D+01  0.768483D+01 -0.948474D+01 -0.207610D+01  0.210232D+01
               156           157           158           159           160 
      1  -0.354206D+01  0.304891D+01 -0.574286D+01  0.100455D+02 -0.259325D+01
      2  -0.489439D+01  0.132524D+00  0.619957D+00  0.210057D+01 -0.514939D+01
      3   0.843645D+01 -0.318144D+01  0.512290D+01 -0.121461D+02  0.774264D+01
      4  -0.334821D+01  0.240166D+01 -0.252553D+01  0.343791D+01 -0.527551D+01
      5   0.974735D+01 -0.300919D+01  0.303895D+01 -0.379371D+01  0.101512D+02
      6  -0.141038D+01  0.258511D+01 -0.512607D+01  0.641610D+01 -0.384196D+01
               161           162           163           164           165 
      1   0.699784D+01 -0.226622D+02  0.145987D+02  0.715944D+01 -0.226418D+01
      2   0.531161D+00 -0.102136D+02 -0.953128D+00  0.258510D+00  0.793166D+00
      3  -0.752900D+01  0.328759D+02 -0.136456D+02 -0.741795D+01  0.147101D+01
      4   0.525168D+01 -0.697332D+01  0.145678D+02  0.183907D+02  0.164710D+01
      5  -0.451430D+01  0.158021D+02 -0.185613D+01  0.213536D+01  0.374897D+01
      6   0.792946D+01 -0.112961D+02  0.781877D+00  0.158200D+01  0.889826D+00
               166           167           168           169           170 
      1   0.115093D+02 -0.113304D+02 -0.147114D+00 -0.152000D+02  0.480003D+00
      2   0.436319D+01  0.337707D+02  0.526665D+00  0.450418D+01 -0.329055D+01
      3  -0.158725D+02 -0.224403D+02 -0.379551D+00  0.106958D+02  0.281054D+01
      4   0.287152D+02  0.575358D+02  0.292246D+01 -0.344994D+01 -0.782208D+01
      5   0.334075D+01  0.173481D+01  0.500405D+01  0.556208D+01  0.592649D+01
      6   0.312101D+01  0.725996D+01  0.545960D+01  0.193465D+01  0.552315D+01
               171           172           173           174           175 
      1  -0.141050D+01  0.546484D+01 -0.222208D+01  0.646136D+01 -0.108594D+02
      2   0.107761D+01 -0.739298D+01  0.140699D+01 -0.589523D+01  0.675111D+01
      3   0.332885D+00  0.192814D+01  0.815087D+00 -0.566136D+00  0.410831D+01
      4   0.608110D+01 -0.127764D+01  0.452209D+01  0.227059D+01  0.477782D+01
      5   0.178548D+01  0.114442D+02  0.145168D+01  0.138483D+02 -0.233210D+01
      6   0.172918D+00  0.973930D+00  0.123141D+01  0.150801D+01  0.975743D+00
               176           177           178           179           180 
      1  -0.791437D+00 -0.725721D+00  0.109536D+02 -0.221795D+01 -0.122762D+02
      2   0.725429D+00  0.230726D+01 -0.118317D+02  0.496396D+00 -0.158605D+02
      3   0.660081D-01 -0.158154D+01  0.878087D+00  0.172155D+01  0.281366D+02
      4   0.304039D+01  0.494618D+01  0.313662D+01  0.660908D+01  0.494984D+01
      5   0.504077D+01 -0.561934D+01  0.189589D+02  0.475233D+01  0.461777D+02
      6   0.466727D+00  0.397578D+01  0.359885D+01  0.573032D+01  0.112710D+02
               181           182           183           184           185 
      1  -0.201227D+01  0.682948D+01 -0.958164D+01  0.130997D+02 -0.799720D+01
      2  -0.269838D+01 -0.266689D+01  0.314917D+01 -0.630143D+01  0.362170D+01
      3   0.471065D+01 -0.416259D+01  0.643247D+01 -0.679826D+01  0.437550D+01
      4   0.717405D+01 -0.164276D+01 -0.557091D+00 -0.292225D+00 -0.944552D+00
      5  -0.744953D+01 -0.541552D+00 -0.251410D+00  0.913853D+00 -0.690076D+01
      6  -0.144391D+00  0.592603D-01 -0.126412D+00  0.574167D+00 -0.204676D+01
               186           187           188           189           190 
      1   0.207998D+01 -0.175418D+02  0.392605D+00 -0.219570D+02  0.137365D+02
      2   0.149532D+00  0.803779D+01  0.236152D+01 -0.903220D+01 -0.379955D+01
      3  -0.222951D+01  0.950404D+01 -0.275412D+01  0.309892D+02 -0.993697D+01
      4  -0.657546D+01 -0.679009D+00 -0.830603D+01  0.711489D+01  0.171659D+02
      5   0.667703D+01  0.305477D+00  0.705306D+01 -0.564673D+02 -0.648820D+01
      6   0.693207D+01 -0.249809D+00  0.364846D+01 -0.193248D+01 -0.132530D+01
               191           192           193           194           195 
      1   0.154101D+02 -0.611574D+01  0.331752D+02  0.209405D+02 -0.997912D+00
      2  -0.518727D+01  0.274971D+01 -0.109125D+02  0.754785D+01 -0.986239D+00
      3  -0.102228D+02  0.336603D+01 -0.222627D+02 -0.284884D+02  0.198415D+01
      4   0.209131D+02 -0.267308D+01  0.435394D+02  0.916877D+02 -0.134375D+02
      5  -0.269950D+01  0.677468D+01 -0.505097D+01 -0.150171D+02  0.133663D+02
      6  -0.624579D+00  0.630688D+00 -0.239032D+01 -0.488235D+01  0.602839D+01
               196           197           198           199           200 
      1  -0.130119D+02 -0.216074D+01  0.819810D+01  0.234208D+02 -0.479968D+01
      2   0.584491D+01 -0.614627D+00 -0.432330D+01 -0.151876D+02  0.289418D+01
      3   0.716698D+01  0.277537D+01 -0.387480D+01 -0.823321D+01  0.190550D+01
      4  -0.666185D+01 -0.166999D+02  0.110903D+02 -0.434494D+01  0.616647D+01
      5   0.144680D+02  0.119254D+02 -0.320189D+01  0.181791D+02  0.156018D+00
      6   0.237202D+01  0.631740D+01 -0.264989D+01  0.485224D+00  0.804203D-01
               201           202           203           204           205 
      1   0.165065D+02 -0.130834D+02  0.717917D+01 -0.133304D+01  0.396825D+02
      2  -0.104113D+02  0.775064D+01 -0.323430D+01  0.144176D+01 -0.255468D+02
      3  -0.609525D+01  0.533277D+01 -0.394487D+01 -0.108718D+00 -0.141358D+02
      4   0.356178D+00  0.121445D+02  0.299437D+01  0.782650D+01  0.240827D+01
      5   0.227093D+02 -0.324987D+01  0.744654D+01 -0.856740D+01  0.439887D+02
      6   0.105044D+01  0.150157D+01 -0.108241D+01  0.401783D+01  0.107192D+01
               206           207           208           209           210 
      1   0.258042D+01  0.261264D+02  0.966575D+02 -0.264392D+02 -0.307277D+02
      2  -0.956806D+00 -0.270108D+02 -0.506891D+02  0.136453D+02  0.169797D+02
      3  -0.162362D+01  0.884398D+00 -0.459684D+02  0.127939D+02  0.137480D+02
      4   0.127011D+02 -0.360938D+01 -0.272446D+02  0.202873D+02  0.917878D+01
      5  -0.272494D+01  0.785382D+02 -0.349858D+02  0.992258D+01  0.254524D+02
      6   0.431351D+01  0.332540D+01  0.152839D+01 -0.817198D+00 -0.308133D+00
               211           212           213           214           215 
      1  -0.560850D+02  0.240923D+02  0.134384D+02 -0.549028D+02  0.108255D+02
      2   0.286810D+02 -0.973354D+01 -0.775859D+01  0.304997D+02 -0.663637D+01
      3   0.274040D+02 -0.143588D+02 -0.567984D+01  0.244030D+02 -0.418908D+01
      4   0.314137D+02 -0.191230D+02 -0.147167D+02  0.130021D+02 -0.173970D+02
      5   0.175725D+02 -0.152212D+02 -0.175888D+02  0.392290D+02 -0.133142D+02
      6  -0.264633D+01  0.217323D+01  0.261696D+01 -0.169102D+01  0.294530D+01
               216           217           218           219           220 
      1   0.289490D+02  0.332254D+02 -0.189302D+02 -0.127999D+02 -0.161341D+02
      2  -0.196498D+02 -0.815951D+01 -0.661216D+00  0.431582D+01 -0.211922D+01
      3  -0.929915D+01 -0.250659D+02  0.195914D+02  0.848413D+01  0.182533D+02
      4  -0.126981D+02 -0.401159D+02  0.374062D+02  0.146960D+02  0.356018D+02
      5  -0.249174D+02 -0.188164D+02  0.116209D+02  0.155773D+02  0.112324D+02
      6   0.229290D+01  0.938014D+01 -0.693405D+01 -0.835279D+01 -0.749728D+01
               221           222           223           224           225 
      1   0.935599D+01  0.282564D+01 -0.191146D+02  0.501891D+01  0.775888D+01
      2   0.118520D+02  0.413939D+01  0.642766D+01  0.501041D+01 -0.263697D+01
      3  -0.212080D+02 -0.696503D+01  0.126870D+02 -0.100293D+02 -0.512191D+01
      4  -0.436911D+02 -0.176009D+02  0.230835D+02 -0.280323D+02 -0.216033D+02
      5  -0.163946D+02 -0.128826D+02  0.205397D+02 -0.189719D+02 -0.174772D+02
      6   0.115779D+02  0.966224D+01 -0.105159D+02  0.124667D+02  0.101148D+02
               226           227           228           229           230 
      1   0.242804D+01 -0.627024D+01  0.675940D+01 -0.385060D+01 -0.124486D+01
      2  -0.755985D+00  0.150103D+01 -0.420527D+01  0.120779D+00  0.323119D+01
      3  -0.167206D+01  0.476920D+01 -0.255413D+01  0.372983D+01 -0.198633D+01
      4  -0.950087D+01  0.997717D+01 -0.472316D+01  0.854410D+01 -0.106033D+02
      5   0.874769D+01 -0.310404D+01  0.120995D+02 -0.182433D+01  0.861951D+01
      6  -0.316890D+01  0.147579D+01 -0.435494D+01  0.211477D+01 -0.601026D+01
               231           232           233           234           235 
      1   0.353936D+01  0.114513D+02  0.575408D+01 -0.431255D+01 -0.570406D+02
      2  -0.412553D+01 -0.661325D+01 -0.672725D+01 -0.493917D+01  0.326328D+02
      3   0.586167D+00 -0.483803D+01  0.973175D+00  0.925172D+01  0.244077D+02
      4   0.896627D+01 -0.966306D+01  0.191002D+02 -0.216756D+02  0.900629D+01
      5  -0.906808D+01  0.163754D+02 -0.189675D+02  0.501267D+02 -0.523101D+01
      6   0.105404D+02 -0.711361D+01  0.140386D+02 -0.269093D+02  0.480802D+01
               236           237           238           239           240 
      1  -0.203393D+02 -0.100158D+02 -0.138608D+02 -0.155390D+02 -0.343191D+01
      2   0.178166D+02  0.543875D+01  0.126855D+02  0.140211D+02  0.334876D+01
      3   0.252272D+01  0.457704D+01  0.117535D+01  0.151794D+01  0.831447D-01
      4  -0.706704D+01  0.205969D+01 -0.165940D+00 -0.187518D+01 -0.195871D+01
      5  -0.606123D+00 -0.226914D+01 -0.850370D+00 -0.275822D+01 -0.293379D+01
      6   0.224838D+01  0.385522D+01  0.149380D+01  0.245546D+01  0.375540D+01
               241           242           243           244           245 
      1  -0.104595D+02 -0.517010D+01 -0.761591D+01  0.197564D+01 -0.590284D+01
      2   0.508869D+01  0.471320D+01  0.382786D+01 -0.605608D+01  0.417220D+01
      3   0.537084D+01  0.456892D+00  0.378804D+01  0.408045D+01  0.173064D+01
      4   0.177243D+01 -0.455890D+01 -0.444489D+01 -0.762311D+01  0.526922D+01
      5   0.394027D+00 -0.551934D+01  0.104814D+01  0.114882D+02 -0.320644D+01
      6   0.260806D+01  0.504971D+01  0.685567D+00 -0.377164D+01  0.121408D+01
               246           247           248           249           250 
      1   0.511598D+01 -0.842675D+01 -0.106468D+01  0.341210D+01  0.554718D+01
      2  -0.550041D+01  0.576730D+01 -0.178593D+01  0.337221D+01 -0.814589D+01
      3   0.384435D+00  0.265944D+01  0.285061D+01 -0.678432D+01  0.259871D+01
      4  -0.272072D+01  0.850799D+01 -0.976420D+01  0.992551D+01 -0.342546D+01
      5   0.124450D+02 -0.444551D+01  0.104605D+02 -0.136622D+02  0.181346D+02
      6  -0.104303D+01  0.298220D+01 -0.601290D+01  0.772982D+01 -0.192073D+01
               251           252           253           254           255 
      1   0.142561D+01 -0.511477D+01 -0.429878D+02 -0.340875D+02 -0.346582D+02
      2   0.525682D+01 -0.153828D+02  0.223635D+02  0.195919D+02  0.128734D+02
      3  -0.668244D+01  0.204976D+02  0.206242D+02  0.144956D+02  0.217848D+02
      4   0.120688D+02 -0.113350D+02 -0.436007D+02 -0.573820D+01 -0.120447D+02
      5  -0.112514D+02  0.356311D+02 -0.403502D+02 -0.766792D+01  0.146982D+01
      6   0.686301D+01 -0.650269D+01 -0.205154D+02  0.296786D+01  0.988391D+01
               256           257           258           259           260 
      1  -0.205269D+02 -0.187131D+01 -0.126455D+01 -0.328521D+02  0.159625D+00
      2   0.196738D+02  0.119304D+02  0.148344D+02  0.127762D+02  0.128554D+02
      3   0.853099D+00 -0.100591D+02 -0.135698D+02  0.200759D+02 -0.130151D+02
      4   0.117298D+02  0.261993D+02  0.149049D+02 -0.908817D+01  0.949379D+01
      5  -0.618122D+00  0.157474D+02 -0.118933D+02  0.447137D+01 -0.172244D+02
      6   0.904833D+01  0.136487D+02 -0.718523D+01  0.795757D+01 -0.140506D+02
               261           262           263           264           265 
      1   0.235057D+02  0.302348D+02 -0.170224D+02 -0.138372D+02 -0.100585D+02
      2  -0.207186D+02 -0.125355D+02  0.541006D+01  0.620975D+01  0.128403D+01
      3  -0.278707D+01 -0.176993D+02  0.116124D+02  0.762744D+01  0.877445D+01
      4  -0.104913D+02 -0.282826D+02  0.230910D+02  0.133444D+02  0.187046D+02
      5   0.626372D+01 -0.186413D+02  0.118234D+02  0.149667D+02  0.844860D+01
      6  -0.442898D+01  0.777096D+01 -0.547203D+01 -0.520685D+01 -0.452311D+01
               266           267           268           269           270 
      1   0.670205D+01  0.338041D+01 -0.225956D+02  0.123169D+02  0.128976D+02
      2   0.267058D+01  0.441147D+00  0.106607D+02 -0.331859D+01 -0.741977D+01
      3  -0.937263D+01 -0.382156D+01  0.119349D+02 -0.899829D+01 -0.547779D+01
      4  -0.242275D+02 -0.106345D+02  0.268499D+02 -0.275789D+02 -0.217693D+02
      5  -0.971009D+01 -0.894536D+01  0.254449D+02 -0.197201D+02 -0.253940D+02
      6   0.663054D+01  0.527483D+01 -0.106162D+02  0.107429D+02  0.116822D+02
               271           272           273           274           275 
      1  -0.134967D+02  0.180460D+02  0.209675D+02  0.840771D+01 -0.160267D+02
      2   0.534949D+01 -0.128025D+02 -0.713761D+01 -0.638170D+01  0.122525D+02
      3   0.814721D+01 -0.524358D+01 -0.138299D+02 -0.202601D+01  0.377422D+01
      4  -0.110629D+01 -0.320415D+01  0.143940D+01  0.115584D+01  0.322277D+01
      5   0.365486D+01 -0.246616D+01 -0.468562D+01  0.151835D+00  0.341425D+01
      6   0.935676D+01 -0.105275D+02 -0.129542D+02 -0.476024D+01  0.114851D+02
               276           277           278           279           280 
      1  -0.115514D+02  0.167878D+02 -0.169690D+02 -0.287074D+02  0.189130D+01
      2   0.676812D+01 -0.581910D+01  0.854227D+01  0.628338D+01  0.148230D+01
      3   0.478333D+01 -0.109687D+02  0.842671D+01  0.224240D+02 -0.337360D+01
      4   0.286920D+01  0.570325D+01  0.740969D+01  0.616099D+01  0.550862D+01
      5   0.623147D+01  0.105637D+01  0.111605D+02  0.160822D+02 -0.684931D-01
      6   0.128512D+02 -0.614202D+01  0.180949D+02  0.232224D+02 -0.995286D+00
               281           282           283           284           285 
      1   0.884313D+01 -0.794720D+00  0.648456D+01 -0.116190D+02  0.504537D+01
      2  -0.716919D+01  0.177886D+01 -0.317086D+01  0.221805D+02 -0.126272D+02
      3  -0.167393D+01 -0.984140D+00 -0.331370D+01 -0.105615D+02  0.758186D+01
      4   0.165535D+01 -0.187372D+00  0.556571D+01  0.147726D+02 -0.882758D+01
      5   0.180722D+01 -0.938215D+00  0.579895D+00 -0.108206D+02  0.101426D+02
      6   0.451638D-01 -0.294558D+01 -0.420915D+00 -0.733436D+01  0.931700D+01
               286           287           288           289           290 
      1  -0.555717D+01  0.893995D+01 -0.868793D+01  0.791845D+02  0.192987D+02
      2   0.214607D+01 -0.193497D+02  0.126500D+02 -0.366004D+02 -0.259742D+01
      3   0.341110D+01  0.104097D+02 -0.396206D+01 -0.425841D+02 -0.167013D+02
      4  -0.647290D+01 -0.181385D+02  0.705949D+01  0.574460D+02  0.313198D+02
      5  -0.100236D+01  0.973972D+01 -0.183573D+02  0.434472D+02  0.149818D+02
      6  -0.214098D+01  0.804702D+01 -0.131624D+02  0.168500D+02  0.980261D+01
               291           292           293           294           295 
      1   0.180940D+02  0.965459D+01  0.890565D+01  0.195469D+01  0.157794D+02
      2  -0.109804D+02  0.997279D+00 -0.194515D-01 -0.645627D+00 -0.106322D+02
      3  -0.711354D+01 -0.106519D+02 -0.888619D+01 -0.130906D+01 -0.514724D+01
      4   0.164242D+02  0.225309D+02  0.144891D+02  0.548671D+01  0.148690D+02
      5   0.219478D+02  0.780881D+01  0.663023D+01  0.543280D+01  0.228085D+02
      6   0.912069D+01  0.656421D+01  0.446226D+01  0.540238D+01  0.881868D+01
               296           297 
      1   0.293949D+01  0.723351D+01
      2  -0.203290D+01 -0.531416D+01
      3  -0.906591D+00 -0.191935D+01
      4   0.782027D+01  0.112984D+02
      5   0.101876D+02  0.146639D+02
      6   0.760931D+01  0.730859D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 18:13:52 2021, MaxMem=  6442450944 cpu:          109583.1 elap:           13714.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52608 -19.47312 -10.58102 -10.46353 -10.45591
 Alpha  occ. eigenvalues --  -10.44941 -10.44506 -10.44259 -10.44235 -10.44157
 Alpha  occ. eigenvalues --  -10.44090 -10.43512 -10.43361 -10.42433 -10.42041
 Alpha  occ. eigenvalues --   -1.25922  -1.15929  -1.01713  -0.96888  -0.94204
 Alpha  occ. eigenvalues --   -0.88899  -0.88471  -0.82147  -0.81956  -0.80477
 Alpha  occ. eigenvalues --   -0.74523  -0.73083  -0.69941  -0.68687  -0.63886
 Alpha  occ. eigenvalues --   -0.62845  -0.61558  -0.59673  -0.58149  -0.56875
 Alpha  occ. eigenvalues --   -0.56110  -0.55673  -0.54482  -0.53579  -0.53214
 Alpha  occ. eigenvalues --   -0.52173  -0.50158  -0.49404  -0.48937  -0.47942
 Alpha  occ. eigenvalues --   -0.47320  -0.47033  -0.45300  -0.44595  -0.44020
 Alpha  occ. eigenvalues --   -0.43361  -0.42606  -0.42210  -0.39824  -0.35461
 Alpha  occ. eigenvalues --   -0.33569
 Alpha virt. eigenvalues --   -0.01375  -0.00776  -0.00538  -0.00362   0.00369
 Alpha virt. eigenvalues --    0.00596   0.00979   0.01625   0.02030   0.02222
 Alpha virt. eigenvalues --    0.02590   0.02832   0.03443   0.04072   0.04701
 Alpha virt. eigenvalues --    0.04886   0.04942   0.05524   0.05697   0.05969
 Alpha virt. eigenvalues --    0.06672   0.07607   0.08025   0.08335   0.08700
 Alpha virt. eigenvalues --    0.08936   0.09323   0.09816   0.10042   0.10559
 Alpha virt. eigenvalues --    0.11062   0.11211   0.11364   0.11878   0.12106
 Alpha virt. eigenvalues --    0.12363   0.12565   0.12872   0.13191   0.13489
 Alpha virt. eigenvalues --    0.13607   0.13852   0.14342   0.14711   0.14886
 Alpha virt. eigenvalues --    0.15492   0.15734   0.15955   0.16569   0.16876
 Alpha virt. eigenvalues --    0.17387   0.17811   0.18090   0.18193   0.18532
 Alpha virt. eigenvalues --    0.19095   0.19748   0.20063   0.20864   0.21175
 Alpha virt. eigenvalues --    0.21499   0.21663   0.22762   0.23136   0.23663
 Alpha virt. eigenvalues --    0.23858   0.24441   0.24847   0.25042   0.26026
 Alpha virt. eigenvalues --    0.26263   0.26557   0.26968   0.27409   0.27543
 Alpha virt. eigenvalues --    0.27655   0.28125   0.28484   0.28917   0.29390
 Alpha virt. eigenvalues --    0.29664   0.30225   0.30411   0.30683   0.31082
 Alpha virt. eigenvalues --    0.31311   0.31972   0.32534   0.32712   0.33067
 Alpha virt. eigenvalues --    0.33244   0.33798   0.34144   0.34748   0.34920
 Alpha virt. eigenvalues --    0.35469   0.36368   0.36562   0.36871   0.37611
 Alpha virt. eigenvalues --    0.38136   0.38748   0.39160   0.39502   0.39929
 Alpha virt. eigenvalues --    0.40346   0.40411   0.40719   0.41493   0.41744
 Alpha virt. eigenvalues --    0.42230   0.42466   0.42714   0.43216   0.43302
 Alpha virt. eigenvalues --    0.43915   0.44247   0.44768   0.45042   0.45273
 Alpha virt. eigenvalues --    0.46026   0.46417   0.46522   0.46859   0.47589
 Alpha virt. eigenvalues --    0.47943   0.48441   0.48928   0.49252   0.49925
 Alpha virt. eigenvalues --    0.50400   0.50991   0.51253   0.51491   0.52105
 Alpha virt. eigenvalues --    0.52818   0.52930   0.53248   0.54020   0.54560
 Alpha virt. eigenvalues --    0.54713   0.55583   0.55816   0.56232   0.56558
 Alpha virt. eigenvalues --    0.56811   0.57305   0.57947   0.58115   0.58358
 Alpha virt. eigenvalues --    0.58946   0.59394   0.59812   0.60008   0.60664
 Alpha virt. eigenvalues --    0.61056   0.61278   0.61750   0.62182   0.62740
 Alpha virt. eigenvalues --    0.63255   0.63360   0.63863   0.64358   0.64573
 Alpha virt. eigenvalues --    0.65282   0.65570   0.65877   0.66306   0.66387
 Alpha virt. eigenvalues --    0.67176   0.67557   0.68212   0.68604   0.69249
 Alpha virt. eigenvalues --    0.69488   0.69768   0.70301   0.70743   0.70837
 Alpha virt. eigenvalues --    0.71482   0.71650   0.72078   0.72979   0.73496
 Alpha virt. eigenvalues --    0.73883   0.74093   0.74461   0.75189   0.75413
 Alpha virt. eigenvalues --    0.76244   0.76408   0.76857   0.77192   0.77354
 Alpha virt. eigenvalues --    0.78292   0.78924   0.79600   0.80136   0.80512
 Alpha virt. eigenvalues --    0.80814   0.81678   0.82634   0.82894   0.83612
 Alpha virt. eigenvalues --    0.84019   0.84569   0.85023   0.85144   0.85622
 Alpha virt. eigenvalues --    0.86749   0.87469   0.87478   0.88195   0.88937
 Alpha virt. eigenvalues --    0.89270   0.89804   0.90175   0.90456   0.92208
 Alpha virt. eigenvalues --    0.92471   0.92771   0.93327   0.93691   0.94439
 Alpha virt. eigenvalues --    0.94863   0.95790   0.96806   0.97364   0.98427
 Alpha virt. eigenvalues --    1.00201   1.00639   1.01112   1.02325   1.02371
 Alpha virt. eigenvalues --    1.03853   1.04864   1.05227   1.06205   1.06787
 Alpha virt. eigenvalues --    1.07634   1.08203   1.09474   1.10826   1.11749
 Alpha virt. eigenvalues --    1.12199   1.12960   1.13554   1.14433   1.15425
 Alpha virt. eigenvalues --    1.16370   1.17076   1.17920   1.19230   1.20687
 Alpha virt. eigenvalues --    1.21037   1.22388   1.23121   1.23664   1.23786
 Alpha virt. eigenvalues --    1.25288   1.25637   1.26869   1.27354   1.28442
 Alpha virt. eigenvalues --    1.30505   1.31774   1.32332   1.34611   1.36326
 Alpha virt. eigenvalues --    1.37489   1.39228   1.39561   1.41060   1.42187
 Alpha virt. eigenvalues --    1.43214   1.43675   1.44432   1.45129   1.47120
 Alpha virt. eigenvalues --    1.47488   1.49674   1.50276   1.51616   1.52235
 Alpha virt. eigenvalues --    1.52406   1.53632   1.53692   1.54354   1.54809
 Alpha virt. eigenvalues --    1.56164   1.57118   1.57790   1.59915   1.61080
 Alpha virt. eigenvalues --    1.61988   1.62227   1.63325   1.64141   1.64782
 Alpha virt. eigenvalues --    1.65583   1.66139   1.67875   1.68515   1.68909
 Alpha virt. eigenvalues --    1.69320   1.71144   1.71841   1.72483   1.73586
 Alpha virt. eigenvalues --    1.74273   1.75660   1.76075   1.76975   1.77094
 Alpha virt. eigenvalues --    1.78587   1.78679   1.79817   1.80554   1.81156
 Alpha virt. eigenvalues --    1.81889   1.82921   1.83021   1.83362   1.85323
 Alpha virt. eigenvalues --    1.87332   1.87630   1.87975   1.89264   1.90084
 Alpha virt. eigenvalues --    1.91313   1.91833   1.92714   1.93963   1.95307
 Alpha virt. eigenvalues --    1.95729   1.95969   1.97162   1.97517   1.98063
 Alpha virt. eigenvalues --    1.98887   1.99457   2.00125   2.00415   2.01590
 Alpha virt. eigenvalues --    2.01805   2.03285   2.04259   2.05534   2.05846
 Alpha virt. eigenvalues --    2.06877   2.07790   2.08152   2.09069   2.09861
 Alpha virt. eigenvalues --    2.11357   2.11665   2.13393   2.14040   2.14395
 Alpha virt. eigenvalues --    2.15160   2.16346   2.17640   2.17950   2.18980
 Alpha virt. eigenvalues --    2.20113   2.20704   2.21032   2.22181   2.23097
 Alpha virt. eigenvalues --    2.23514   2.25001   2.25497   2.26569   2.28626
 Alpha virt. eigenvalues --    2.28903   2.29806   2.31531   2.32399   2.32862
 Alpha virt. eigenvalues --    2.34324   2.35543   2.36610   2.37366   2.37512
 Alpha virt. eigenvalues --    2.38295   2.39605   2.40331   2.42122   2.44258
 Alpha virt. eigenvalues --    2.45058   2.46252   2.47622   2.50703   2.51901
 Alpha virt. eigenvalues --    2.52429   2.53970   2.54615   2.55553   2.56406
 Alpha virt. eigenvalues --    2.58863   2.60501   2.61137   2.62018   2.63811
 Alpha virt. eigenvalues --    2.65481   2.65853   2.66319   2.67198   2.70250
 Alpha virt. eigenvalues --    2.72547   2.75005   2.75300   2.76837   2.78015
 Alpha virt. eigenvalues --    2.80620   2.82631   2.84953   2.87178   2.88412
 Alpha virt. eigenvalues --    2.90040   2.91463   2.93797   2.95289   2.96429
 Alpha virt. eigenvalues --    3.00711   3.08789   3.11199   3.12774   3.14066
 Alpha virt. eigenvalues --    3.17096   3.23131   3.30804   3.37818   3.43055
 Alpha virt. eigenvalues --    3.44902   3.47712   3.50576   3.51741   3.54606
 Alpha virt. eigenvalues --    3.56262   3.59764   3.61277   3.68458   3.73072
 Alpha virt. eigenvalues --    3.77920   3.87453   3.93056   4.06449   4.78673
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   36.760255  -6.660497  -8.404467  -1.479536  -8.167195  -4.159075
     2  C   -6.660497  34.293637  -1.787373 -10.131412   6.986167 -17.835999
     3  C   -8.404467  -1.787373  37.921051  -6.825079  -5.314085  -7.865019
     4  C   -1.479536 -10.131412  -6.825079  36.491501 -16.442215   6.127303
     5  C   -8.167195   6.986167  -5.314085 -16.442215  52.676655 -17.371375
     6  C   -4.159075 -17.835999  -7.865019   6.127303 -17.371375  51.656719
     7  C    0.133006  -2.243459  -0.424609  -1.095570  -0.109009  -2.978175
     8  C   -0.233016   0.531259  -0.045194  -0.130502  -0.182232  -0.481157
     9  C    0.074127   0.039910   0.135313   0.001977  -0.017746  -0.299059
    10  C   -0.303178  -0.266891  -0.350457   0.121936  -0.030426   0.842020
    11  C   -0.221136  -0.227468  -0.016611  -5.347080  -1.343661   0.237873
    12  C   -0.148348  -0.081903  -0.234783   1.197418  -1.192117   0.041498
    13  O   -0.004981   0.009646  -0.037120  -0.140851   0.218280  -0.043434
    14  O   -0.005262   0.027665  -0.011110  -0.087160   0.153669  -0.050954
    15  H   -3.024589   0.765983   1.668496   0.149530  -0.202799   0.008160
    16  H    1.319933   0.051757  -3.394471   1.173868   0.237027  -0.299798
    17  H   -0.038079  -1.114146   0.604055   2.568125  -5.433010   1.745648
    18  H    0.686373   3.563559   0.059356  -1.277997   1.326652  -5.443358
    19  H    0.421577   0.172050   0.293184   0.086036  -0.087101  -0.264586
    20  H   -0.666785  -0.474200  -0.302505   0.179485   0.313216   1.268401
    21  H    0.150896  -0.238504   0.161045   0.041653   0.089615   0.002618
    22  H   -0.014064   0.197022   0.006408   0.017928  -0.011880   0.025460
    23  H    0.046451   0.057593   0.013054  -0.002988   0.022284  -0.035831
    24  H   -0.031428  -0.121595  -0.005819  -0.007997  -0.006465  -0.003231
    25  H    0.009584   0.049479  -0.003674  -0.000160   0.014493  -0.075479
    26  H   -0.005590  -0.011374   0.008035   0.016078   0.056072   0.125757
    27  H   -0.004015   0.035991   0.059046  -0.022492  -0.034229  -0.029568
    28  H    0.003989  -0.011183   0.007928   0.783677  -0.156726  -0.054028
    29  C    0.041324  -0.213109   0.235083  -0.501243  -0.988050   0.122460
    30  H    0.003663  -0.006189  -0.002224   0.043892  -0.043820   0.008688
    31  H    0.011240  -0.031399   0.124636  -0.694083   0.112817  -0.008811
    32  H    0.086972  -0.124240   0.185325   0.124390  -0.593723  -0.001193
    33  H   -0.044725   0.053272  -0.251434   0.844795   0.226686  -0.006902
               7          8          9         10         11         12
     1  C    0.133006  -0.233016   0.074127  -0.303178  -0.221136  -0.148348
     2  C   -2.243459   0.531259   0.039910  -0.266891  -0.227468  -0.081903
     3  C   -0.424609  -0.045194   0.135313  -0.350457  -0.016611  -0.234783
     4  C   -1.095570  -0.130502   0.001977   0.121936  -5.347080   1.197418
     5  C   -0.109009  -0.182232  -0.017746  -0.030426  -1.343661  -1.192117
     6  C   -2.978175  -0.481157  -0.299059   0.842020   0.237873   0.041498
     7  C   15.490902  -0.895988   0.141869   0.070219  -0.356735  -0.043670
     8  C   -0.895988  10.692625  -0.431937  -0.909099   0.043546  -0.006406
     9  C    0.141869  -0.431937   5.426667  -0.217181  -0.002692   0.000596
    10  C    0.070219  -0.909099  -0.217181   5.227923  -0.028698   0.003720
    11  C   -0.356735   0.043546  -0.002692  -0.028698  17.000335  -3.103715
    12  C   -0.043670  -0.006406   0.000596   0.003720  -3.103715   8.394794
    13  O   -0.000268  -0.000004   0.000003  -0.000027  -0.035712   0.572961
    14  O    0.001498  -0.000078  -0.000021  -0.000142   0.030094   0.114490
    15  H   -0.356439   0.069308   0.023653  -0.029054   0.107980   0.003280
    16  H    0.122951  -0.015439   0.000125  -0.000649   0.049587  -0.021424
    17  H    0.116884  -0.002101  -0.000122   0.002535   0.213987   0.063959
    18  H   -0.045525   0.054360   0.021261  -0.056935  -0.031277   0.014033
    19  H   -1.326902   0.147276  -0.038167   0.037283  -0.008790  -0.000108
    20  H   -1.208870  -0.025808  -0.124349   0.049160  -0.000995  -0.003814
    21  H   -0.075199  -2.134891  -0.138759   0.321209   0.006460   0.000228
    22  H   -0.262858   0.327394   0.060937  -0.043191   0.001607   0.000190
    23  H   -0.008254  -0.398732   0.419287  -0.041806  -0.000142   0.000145
    24  H    0.120713   0.311000   0.025340   0.048487  -0.000717  -0.000124
    25  H    0.126557  -0.057671   0.125776   0.027286   0.000241   0.000443
    26  H   -0.375444  -0.060298  -0.093247   0.215558  -0.000491   0.000196
    27  H   -0.167903   0.353871  -0.130823   0.191661  -0.001415  -0.000414
    28  H   -0.009740   0.002979  -0.000155  -0.000568  -1.869116   0.301384
    29  C   -0.088681   0.005067   0.000719  -0.002101   0.427665   0.176002
    30  H   -0.001285   0.000027   0.000018   0.000064   0.038951  -0.105890
    31  H   -0.014517   0.002697   0.000185  -0.000773   0.655393  -0.099889
    32  H   -0.014111   0.001418  -0.000073  -0.000042  -0.337684   0.098890
    33  H    0.001444  -0.000594  -0.000002   0.000083  -0.442787   0.007916
              13         14         15         16         17         18
     1  C   -0.004981  -0.005262  -3.024589   1.319933  -0.038079   0.686373
     2  C    0.009646   0.027665   0.765983   0.051757  -1.114146   3.563559
     3  C   -0.037120  -0.011110   1.668496  -3.394471   0.604055   0.059356
     4  C   -0.140851  -0.087160   0.149530   1.173868   2.568125  -1.277997
     5  C    0.218280   0.153669  -0.202799   0.237027  -5.433010   1.326652
     6  C   -0.043434  -0.050954   0.008160  -0.299798   1.745648  -5.443358
     7  C   -0.000268   0.001498  -0.356439   0.122951   0.116884  -0.045525
     8  C   -0.000004  -0.000078   0.069308  -0.015439  -0.002101   0.054360
     9  C    0.000003  -0.000021   0.023653   0.000125  -0.000122   0.021261
    10  C   -0.000027  -0.000142  -0.029054  -0.000649   0.002535  -0.056935
    11  C   -0.035712   0.030094   0.107980   0.049587   0.213987  -0.031277
    12  C    0.572961   0.114490   0.003280  -0.021424   0.063959   0.014033
    13  O    7.726239  -0.017765  -0.000158   0.002478  -0.048079  -0.000534
    14  O   -0.017765   7.942100   0.000204   0.008941  -0.009118  -0.002144
    15  H   -0.000158   0.000204   3.007962  -0.248863   0.006228  -0.032225
    16  H    0.002478   0.008941  -0.248863   2.933836  -0.031715   0.006634
    17  H   -0.048079  -0.009118   0.006228  -0.031715   3.684085  -0.300360
    18  H   -0.000534  -0.002144  -0.032225   0.006634  -0.300360   3.520089
    19  H    0.000047  -0.000156  -0.064285   0.012874  -0.003899   0.039531
    20  H   -0.000062   0.000258   0.031204  -0.006713   0.001569  -0.135443
    21  H    0.000001   0.000084  -0.066796   0.003240   0.002043   0.000730
    22  H   -0.000003  -0.000005   0.013709  -0.000589  -0.000148  -0.000164
    23  H    0.000000   0.000001   0.002579  -0.000070   0.000119   0.010248
    24  H    0.000002  -0.000001  -0.004890   0.000296   0.000018  -0.002448
    25  H   -0.000015  -0.000023   0.002048  -0.000950  -0.000386   0.003246
    26  H    0.000017   0.000016  -0.008740   0.000923   0.000388  -0.011457
    27  H   -0.000067   0.000081   0.005073   0.001223  -0.000800  -0.010735
    28  H    0.007735  -0.046758   0.000440  -0.145828  -0.019476   0.000301
    29  C   -0.014922  -0.026207   0.003887   0.023168   0.034484   0.023062
    30  H   -0.033064   0.297274  -0.000016  -0.000355  -0.000527   0.000375
    31  H    0.019376   0.006357   0.002451  -0.008147   0.010601  -0.001620
    32  H    0.008728  -0.015936  -0.001605   0.006629  -0.085165   0.008694
    33  H   -0.001848   0.006301   0.000455   0.004299   0.024616  -0.002800
              19         20         21         22         23         24
     1  C    0.421577  -0.666785   0.150896  -0.014064   0.046451  -0.031428
     2  C    0.172050  -0.474200  -0.238504   0.197022   0.057593  -0.121595
     3  C    0.293184  -0.302505   0.161045   0.006408   0.013054  -0.005819
     4  C    0.086036   0.179485   0.041653   0.017928  -0.002988  -0.007997
     5  C   -0.087101   0.313216   0.089615  -0.011880   0.022284  -0.006465
     6  C   -0.264586   1.268401   0.002618   0.025460  -0.035831  -0.003231
     7  C   -1.326902  -1.208870  -0.075199  -0.262858  -0.008254   0.120713
     8  C    0.147276  -0.025808  -2.134891   0.327394  -0.398732   0.311000
     9  C   -0.038167  -0.124349  -0.138759   0.060937   0.419287   0.025340
    10  C    0.037283   0.049160   0.321209  -0.043191  -0.041806   0.048487
    11  C   -0.008790  -0.000995   0.006460   0.001607  -0.000142  -0.000717
    12  C   -0.000108  -0.003814   0.000228   0.000190   0.000145  -0.000124
    13  O    0.000047  -0.000062   0.000001  -0.000003   0.000000   0.000002
    14  O   -0.000156   0.000258   0.000084  -0.000005   0.000001  -0.000001
    15  H   -0.064285   0.031204  -0.066796   0.013709   0.002579  -0.004890
    16  H    0.012874  -0.006713   0.003240  -0.000589  -0.000070   0.000296
    17  H   -0.003899   0.001569   0.002043  -0.000148   0.000119   0.000018
    18  H    0.039531  -0.135443   0.000730  -0.000164   0.010248  -0.002448
    19  H    2.749704  -0.659431   0.019991  -0.089336   0.012342   0.028046
    20  H   -0.659431   3.213916   0.141242   0.030077  -0.058822   0.009894
    21  H    0.019991   0.141242   3.459606  -0.106065   0.144008  -0.124662
    22  H   -0.089336   0.030077  -0.106065   1.807158  -0.322907  -0.477435
    23  H    0.012342  -0.058822   0.144008  -0.322907   1.732541  -0.426121
    24  H    0.028046   0.009894  -0.124662  -0.477435  -0.426121   1.873421
    25  H   -0.012828   0.011189  -0.069259   0.035980  -0.007196  -0.055725
    26  H    0.015118   0.023899   0.175843  -0.001180  -0.005106  -0.021934
    27  H    0.035945  -0.024219  -0.087800  -0.024621   0.009204   0.026149
    28  H   -0.000830   0.000112  -0.000533   0.000007   0.000033  -0.000030
    29  C   -0.000345  -0.005202   0.001482   0.000239   0.000151  -0.000166
    30  H    0.000008  -0.000116  -0.000035   0.000006  -0.000001   0.000000
    31  H   -0.000442  -0.000347   0.000167   0.000095  -0.000019  -0.000028
    32  H    0.000028  -0.001053   0.000072   0.000026  -0.000027  -0.000010
    33  H    0.000195   0.000125   0.000140   0.000005   0.000012  -0.000018
              25         26         27         28         29         30
     1  C    0.009584  -0.005590  -0.004015   0.003989   0.041324   0.003663
     2  C    0.049479  -0.011374   0.035991  -0.011183  -0.213109  -0.006189
     3  C   -0.003674   0.008035   0.059046   0.007928   0.235083  -0.002224
     4  C   -0.000160   0.016078  -0.022492   0.783677  -0.501243   0.043892
     5  C    0.014493   0.056072  -0.034229  -0.156726  -0.988050  -0.043820
     6  C   -0.075479   0.125757  -0.029568  -0.054028   0.122460   0.008688
     7  C    0.126557  -0.375444  -0.167903  -0.009740  -0.088681  -0.001285
     8  C   -0.057671  -0.060298   0.353871   0.002979   0.005067   0.000027
     9  C    0.125776  -0.093247  -0.130823  -0.000155   0.000719   0.000018
    10  C    0.027286   0.215558   0.191661  -0.000568  -0.002101   0.000064
    11  C    0.000241  -0.000491  -0.001415  -1.869116   0.427665   0.038951
    12  C    0.000443   0.000196  -0.000414   0.301384   0.176002  -0.105890
    13  O   -0.000015   0.000017  -0.000067   0.007735  -0.014922  -0.033064
    14  O   -0.000023   0.000016   0.000081  -0.046758  -0.026207   0.297274
    15  H    0.002048  -0.008740   0.005073   0.000440   0.003887  -0.000016
    16  H   -0.000950   0.000923   0.001223  -0.145828   0.023168  -0.000355
    17  H   -0.000386   0.000388  -0.000800  -0.019476   0.034484  -0.000527
    18  H    0.003246  -0.011457  -0.010735   0.000301   0.023062   0.000375
    19  H   -0.012828   0.015118   0.035945  -0.000830  -0.000345   0.000008
    20  H    0.011189   0.023899  -0.024219   0.000112  -0.005202  -0.000116
    21  H   -0.069259   0.175843  -0.087800  -0.000533   0.001482  -0.000035
    22  H    0.035980  -0.001180  -0.024621   0.000007   0.000239   0.000006
    23  H   -0.007196  -0.005106   0.009204   0.000033   0.000151  -0.000001
    24  H   -0.055725  -0.021934   0.026149  -0.000030  -0.000166   0.000000
    25  H    2.204854  -0.475628  -0.635883   0.000225   0.000901   0.000006
    26  H   -0.475628   1.948214  -0.334408  -0.000206   0.000639  -0.000006
    27  H   -0.635883  -0.334408   2.093755  -0.000867  -0.006125   0.000016
    28  H    0.000225  -0.000206  -0.000867   2.621810   0.038947   0.011855
    29  C    0.000901   0.000639  -0.006125   0.038947   5.293284   0.013465
    30  H    0.000006  -0.000006   0.000016   0.011855   0.013465   0.576272
    31  H    0.000129   0.000156  -0.003047  -0.024690   0.091037  -0.000860
    32  H    0.000064  -0.000174  -0.002074   0.087341   0.691912   0.004571
    33  H    0.000072   0.000141   0.000268   0.007123  -0.334929   0.000108
              31         32         33
     1  C    0.011240   0.086972  -0.044725
     2  C   -0.031399  -0.124240   0.053272
     3  C    0.124636   0.185325  -0.251434
     4  C   -0.694083   0.124390   0.844795
     5  C    0.112817  -0.593723   0.226686
     6  C   -0.008811  -0.001193  -0.006902
     7  C   -0.014517  -0.014111   0.001444
     8  C    0.002697   0.001418  -0.000594
     9  C    0.000185  -0.000073  -0.000002
    10  C   -0.000773  -0.000042   0.000083
    11  C    0.655393  -0.337684  -0.442787
    12  C   -0.099889   0.098890   0.007916
    13  O    0.019376   0.008728  -0.001848
    14  O    0.006357  -0.015936   0.006301
    15  H    0.002451  -0.001605   0.000455
    16  H   -0.008147   0.006629   0.004299
    17  H    0.010601  -0.085165   0.024616
    18  H   -0.001620   0.008694  -0.002800
    19  H   -0.000442   0.000028   0.000195
    20  H   -0.000347  -0.001053   0.000125
    21  H    0.000167   0.000072   0.000140
    22  H    0.000095   0.000026   0.000005
    23  H   -0.000019  -0.000027   0.000012
    24  H   -0.000028  -0.000010  -0.000018
    25  H    0.000129   0.000064   0.000072
    26  H    0.000156  -0.000174   0.000141
    27  H   -0.003047  -0.002074   0.000268
    28  H   -0.024690   0.087341   0.007123
    29  C    0.091037   0.691912  -0.334929
    30  H   -0.000860   0.004571   0.000108
    31  H    1.746093  -0.358635  -0.387292
    32  H   -0.358635   1.819560  -0.379184
    33  H   -0.387292  -0.379184   1.882843
 Mulliken charges:
               1
     1  C   -0.133426
     2  C    0.745950
     3  C   -0.205982
     4  C    0.216774
     5  C    1.294231
     6  C    1.094430
     7  C    1.777168
     8  C   -0.531679
     9  C    0.996573
    10  C    1.122072
    11  C    0.563206
    12  C    0.050461
    13  O   -0.186599
    14  O   -0.316194
    15  H   -0.832173
    16  H   -0.784776
    17  H   -0.992215
    18  H   -0.983482
    19  H   -0.514029
    20  H   -0.575014
    21  H   -0.679869
    22  H   -0.169803
    23  H   -0.162032
    24  H   -0.152522
    25  H   -0.217695
    26  H   -0.181767
    27  H   -0.290776
    28  H   -0.535151
    29  C    0.956100
    30  H    0.195128
    31  H   -0.148833
    32  H   -0.209690
    33  H   -0.208386
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.965600
     2  C    0.745950
     3  C   -0.990757
     4  C    0.216774
     5  C    0.302016
     6  C    0.110948
     7  C    0.688125
     8  C   -1.211547
     9  C    0.512215
    10  C    0.431834
    11  C    0.028055
    12  C    0.050461
    13  O   -0.186599
    14  O   -0.121067
    29  C    0.389191
 Electronic spatial extent (au):  <R**2>=           4748.0536
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1459    Y=             -0.8102    Z=              1.2497  Tot=              1.8792
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.1759   YY=            -91.7063   ZZ=            -89.8204
   XY=             -3.7685   XZ=              4.5682   YZ=              1.4679
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3917   YY=             -1.1388   ZZ=              0.7471
   XY=             -3.7685   XZ=              4.5682   YZ=              1.4679
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             25.6255  YYY=             -6.8319  ZZZ=             -0.6274  XYY=             16.3027
  XXY=            -31.8075  XXZ=             15.4431  XZZ=              4.3195  YZZ=             -6.3227
  YYZ=             -3.5147  XYZ=             18.9092
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5241.5392 YYYY=           -639.6912 ZZZZ=           -481.6592 XXXY=           -182.3776
 XXXZ=              7.9275 YYYX=            -23.5439 YYYZ=              9.9394 ZZZX=              6.6058
 ZZZY=             -9.2084 XXYY=           -937.0087 XXZZ=           -966.0053 YYZZ=           -176.5147
 XXYZ=             85.1878 YYXZ=            -37.8665 ZZXY=            -28.8816
 N-N= 9.705837382899D+02 E-N=-3.467518046373D+03  KE= 6.520926392768D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 18:13:53 2021, MaxMem=  6442450944 cpu:               4.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.18087615D-01-3.41454671D-01 4.50648749D-01
 Polarizability= 2.08367578D+02 9.31197296D+00 1.34084396D+02
                 3.07554708D+00-9.21755552D+00 1.37122516D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.8350   -1.8103        4.9321    4.9290
 2      1.8350    1.8103        4.8477    4.8424      -38.7202  -38.7378
 3     -4.9321   -4.9290       37.0221   37.0345       -4.8436   -4.8424
 4     -4.8477   -4.8424        0.0000    0.0000       -4.9440   -4.9290
 5      1.6981    1.7034        4.9440    4.9290       -1.8189   -1.8103
 6      4.8436    4.8424        1.8189    1.8103       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        5.4309    5.4309       14.7871   14.7871
 2    -14.5272  -14.5272        0.0000    0.0000       14.7871   14.7871
 3    -14.5272  -14.5272        5.4309    5.4309        0.0000    0.0000
 4      5.4309    5.4309       14.5272   14.5272     -116.2135 -116.2135
 5    -14.7871  -14.7871      111.1034  111.1034      -14.5272  -14.5272
 6      5.1101    5.1101       14.7871   14.7871       -5.4309   -5.4309
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5066    0.0000        6.7037    7.2412      -19.7953  -19.7162
 2     -6.7983   -7.2412      -19.6754  -19.3696      154.8245  154.9514
 3     20.3178   19.7162     -148.7729 -148.1379       18.8457   19.3696
 4     19.4249   19.3696        0.1097    0.0000       19.7946   19.7162
 5     -6.5944   -6.8134      -20.2840  -19.7162        6.9314    7.2412
 6    -19.1659  -19.3696       -6.7746   -7.2412        0.0489    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1285    0.0000      -13.5464  -13.2462       31.1289   30.4903
 2     12.6265   13.2462        1.2683   -1.5542       13.2973   12.7752
 3    -30.6939  -30.4903      -15.0231  -14.2548        3.4274    1.5542
 4      1.4800    1.5542       -1.2843    0.0000      -30.0655  -30.4903
 5      0.7434    1.4797       29.4295   30.4903      -13.8062  -13.2462
 6     -1.6623   -1.5542       13.7096   13.2462       -0.8035    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -11.3888  -11.1532        1.4798    1.6403      -43.7866  -43.4716
 2     -4.4917   -4.5657       17.9837   18.9430      -42.5859  -43.4716
 3     -4.5550   -4.5657        0.8630    1.6403      -90.9380  -91.8886
 4    -18.5729  -17.3027       -4.2870   -6.5875       14.8862   15.3407
 5    -47.3574  -48.4170        3.7437    5.3555        8.3156    6.5875
 6    -21.4011  -20.6962       49.4968   48.4170       17.7153   17.3027
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.5129   -0.0005    0.0006    0.0007    1.3541    3.4605
 Low frequencies ---   23.6182   38.0581   44.8628
 Diagonal vibrational polarizability:
       38.9069094      18.4296831      11.9115717
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.6088                38.0548                44.8534
 Red. masses --      3.7892                 5.9048                 4.0212
 Frc consts  --      0.0012                 0.0050                 0.0048
 IR Inten    --      0.0864                 1.1818                 0.5689
 RamAct Fr= 1--      0.2534                 0.7802                 2.5869
  Dep-P Fr= 1--      0.7492                 0.7500                 0.7342
  Dep-U Fr= 1--      0.8566                 0.8571                 0.8467
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0362                 0.1115                 0.3651
 AlphaG Fr= 1--     -0.0002                -0.0001                 0.0043
 Gamma2 Fr= 1--     -0.2705                -0.3765                 0.0498
 Delta2 Fr= 1--     -0.2602                 0.0965                -0.6069
 Raman1 Fr= 1--       1.013                  3.121                 10.348
 ROA1   Fr= 1--     -34.290                -33.052                -14.641
 CID1   Fr= 1--     -33.834                -10.591                 -1.415
 Raman2 Fr= 1--       0.434                  1.337                  4.381
 ROA2   Fr= 1--      -4.410                 -9.807                  6.050
 CID2   Fr= 1--     -10.158                 -7.332                  1.381
 Raman3 Fr= 1--       0.868                  2.675                  8.762
 ROA3   Fr= 1--     -34.290                -33.052                -14.641
 CID3   Fr= 1--     -39.496                -12.356                 -1.671
 RC180  Fr= 1--       0.713                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.08    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     2   6     0.01   0.07  -0.06    -0.03  -0.05  -0.05    -0.01  -0.04  -0.03
     3   6     0.00   0.03  -0.06    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     4   6    -0.00   0.08  -0.02    -0.02  -0.07  -0.05    -0.01  -0.02  -0.04
     5   6    -0.00   0.12  -0.00    -0.01  -0.09  -0.06     0.03  -0.16  -0.11
     6   6     0.00   0.12  -0.02    -0.01  -0.07  -0.06     0.03  -0.16  -0.11
     7   6     0.02   0.05  -0.09    -0.04   0.01  -0.03    -0.02  -0.01  -0.02
     8   6    -0.01  -0.09   0.03     0.02   0.03   0.03     0.01  -0.04   0.04
     9   6     0.00  -0.10  -0.03    -0.01   0.15  -0.01    -0.01   0.07  -0.05
    10   6    -0.06  -0.05   0.23     0.12   0.03   0.15     0.11  -0.02   0.21
    11   6     0.00   0.06  -0.01    -0.04  -0.02  -0.01    -0.03   0.02  -0.02
    12   6    -0.00  -0.07   0.04     0.01   0.02   0.02     0.02   0.04   0.02
    13   8     0.03  -0.16  -0.01    -0.20  -0.02  -0.10     0.17   0.08   0.11
    14   8    -0.05  -0.06   0.16     0.35   0.12   0.20    -0.12  -0.00  -0.07
    15   1     0.01  -0.02  -0.11    -0.04  -0.04  -0.05    -0.08   0.18   0.09
    16   1     0.00  -0.01  -0.07    -0.04  -0.05  -0.04    -0.08   0.20   0.09
    17   1    -0.00   0.15   0.02    -0.00  -0.10  -0.06     0.06  -0.25  -0.16
    18   1     0.00   0.16  -0.01    -0.01  -0.08  -0.06     0.06  -0.26  -0.16
    19   1     0.06   0.02  -0.22    -0.08   0.02  -0.07    -0.03  -0.02  -0.08
    20   1     0.01   0.18  -0.06    -0.06   0.07  -0.02    -0.03   0.05  -0.01
    21   1    -0.01  -0.22   0.01    -0.00  -0.07   0.02    -0.03  -0.17   0.03
    22   1     0.04  -0.14  -0.17    -0.09   0.14  -0.10    -0.07   0.05  -0.19
    23   1    -0.00   0.03  -0.01    -0.00   0.26   0.01     0.03   0.22  -0.04
    24   1    -0.02  -0.21   0.04     0.03   0.15   0.04     0.01   0.04   0.00
    25   1    -0.08  -0.15   0.31     0.15   0.03   0.18     0.12  -0.05   0.25
    26   1    -0.06   0.09   0.25     0.15   0.13   0.16     0.17   0.10   0.22
    27   1    -0.07  -0.05   0.27     0.14  -0.05   0.18     0.12  -0.11   0.29
    28   1    -0.04   0.12   0.03    -0.05  -0.01   0.00    -0.03   0.04  -0.00
    29   6     0.06   0.06  -0.12    -0.12  -0.01  -0.01    -0.09   0.03  -0.03
    30   1    -0.05  -0.14   0.19     0.37   0.14   0.21    -0.07   0.01  -0.04
    31   1     0.05   0.15  -0.17    -0.17  -0.03  -0.04    -0.11   0.01  -0.04
    32   1     0.11   0.00  -0.17    -0.10  -0.03  -0.02    -0.11   0.02  -0.04
    33   1     0.06   0.04  -0.11    -0.14   0.04   0.04    -0.10   0.08  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --     55.5603                61.0597               101.8797
 Red. masses --      4.0740                 3.1885                 4.9067
 Frc consts  --      0.0074                 0.0070                 0.0300
 IR Inten    --      0.5370                 0.0050                 0.1598
 RamAct Fr= 1--      2.0640                 1.1708                 2.4814
  Dep-P Fr= 1--      0.7399                 0.7365                 0.6253
  Dep-U Fr= 1--      0.8505                 0.8483                 0.7695
 Alpha2 Fr= 1--      0.0004                 0.0003                 0.0056
 Beta2  Fr= 1--      0.2926                 0.1655                 0.3182
 AlphaG Fr= 1--     -0.0004                 0.0005                -0.0006
 Gamma2 Fr= 1--      1.3235                -1.2212                 1.0154
 Delta2 Fr= 1--      1.4163                -0.6030                 0.5263
 Raman1 Fr= 1--       8.256                  4.683                  9.926
 ROA1   Fr= 1--     172.372               -136.526                114.318
 CID1   Fr= 1--      20.879                -29.152                 11.518
 Raman2 Fr= 1--       3.511                  1.986                  3.819
 ROA2   Fr= 1--      20.433                -24.484                 20.159
 CID2   Fr= 1--       5.820                -12.326                  5.279
 Raman3 Fr= 1--       7.022                  3.973                  7.638
 ROA3   Fr= 1--     172.372               -136.526                114.318
 CID3   Fr= 1--      24.549                -34.367                 14.968
 RC180  Fr= 1--       0.701                  0.697                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.18  -0.12    -0.06   0.11  -0.04     0.01  -0.01   0.05
     2   6    -0.01  -0.08  -0.06    -0.01   0.07  -0.07    -0.06   0.06   0.11
     3   6     0.03  -0.15  -0.12    -0.05   0.06  -0.02     0.05  -0.08  -0.04
     4   6    -0.02  -0.02  -0.05     0.00  -0.03  -0.05     0.03  -0.08  -0.07
     5   6    -0.05   0.05  -0.01     0.05  -0.07  -0.08    -0.05  -0.02  -0.01
     6   6    -0.05   0.02  -0.02     0.04  -0.02  -0.10    -0.08   0.05   0.09
     7   6    -0.03  -0.03  -0.00    -0.02   0.09  -0.07    -0.06   0.04   0.13
     8   6     0.07   0.05   0.03    -0.00   0.02   0.02    -0.15   0.04   0.02
     9   6     0.03   0.08   0.20     0.00  -0.11   0.22    -0.11  -0.00  -0.14
    10   6     0.08   0.03  -0.08    -0.16   0.03  -0.04    -0.17   0.04   0.02
    11   6    -0.05   0.06  -0.01    -0.00  -0.06   0.00     0.03  -0.04  -0.08
    12   6     0.02   0.02   0.06     0.05  -0.01   0.03     0.14  -0.01  -0.01
    13   8     0.15   0.01   0.11     0.06   0.01   0.05     0.26   0.03   0.06
    14   8    -0.08   0.00   0.07     0.09  -0.00   0.02     0.17  -0.00  -0.00
    15   1     0.07  -0.27  -0.17    -0.10   0.17  -0.02     0.05  -0.02   0.07
    16   1     0.06  -0.21  -0.16    -0.09   0.09   0.01     0.10  -0.12  -0.08
    17   1    -0.09   0.14   0.04     0.09  -0.13  -0.10    -0.08  -0.00  -0.03
    18   1    -0.08   0.09   0.03     0.08  -0.04  -0.12    -0.13   0.10   0.12
    19   1    -0.07  -0.01   0.04     0.00   0.07  -0.15    -0.04   0.04   0.18
    20   1    -0.07  -0.04   0.00    -0.04   0.17  -0.06    -0.04  -0.04   0.11
    21   1     0.16   0.11   0.02     0.14   0.06   0.00    -0.27   0.06   0.05
    22   1     0.02   0.10   0.29     0.12  -0.11   0.29    -0.12  -0.00  -0.15
    23   1    -0.07   0.01   0.21    -0.14  -0.19   0.24     0.01  -0.02  -0.18
    24   1     0.10   0.14   0.23     0.02  -0.14   0.27    -0.20  -0.01  -0.24
    25   1     0.16   0.08  -0.04    -0.10  -0.01   0.06    -0.26   0.02  -0.07
    26   1    -0.02  -0.03  -0.07    -0.36  -0.01  -0.01    -0.05   0.01  -0.01
    27   1     0.11   0.02  -0.19    -0.14   0.10  -0.22    -0.21   0.08   0.14
    28   1    -0.07   0.12   0.03    -0.04  -0.09  -0.01     0.03  -0.01  -0.06
    29   6    -0.12   0.08  -0.08    -0.01  -0.06   0.07    -0.05  -0.03  -0.11
    30   1    -0.03  -0.02   0.12     0.13   0.03   0.04     0.29   0.04   0.07
    31   1    -0.16   0.10  -0.14    -0.04  -0.09   0.06    -0.09  -0.04  -0.14
    32   1    -0.09   0.03  -0.12     0.02  -0.03   0.08    -0.04  -0.06  -0.13
    33   1    -0.14   0.13  -0.05    -0.02  -0.07   0.11    -0.07   0.03  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    165.9867               214.7491               224.2402
 Red. masses --      3.4331                 2.0330                 1.3787
 Frc consts  --      0.0557                 0.0552                 0.0408
 IR Inten    --      0.0954                 0.4666                 0.1660
 RamAct Fr= 1--      0.5464                 0.1423                 0.7522
  Dep-P Fr= 1--      0.5781                 0.7316                 0.1534
  Dep-U Fr= 1--      0.7327                 0.8450                 0.2660
 Alpha2 Fr= 1--      0.0018                 0.0000                 0.0115
 Beta2  Fr= 1--      0.0667                 0.0200                 0.0333
 AlphaG Fr= 1--     -0.0033                -0.0011                 0.0044
 Gamma2 Fr= 1--      0.2243                 0.0187                -0.0780
 Delta2 Fr= 1--      0.1531                 0.0820                 0.0429
 Raman1 Fr= 1--       2.185                  0.569                  3.009
 ROA1   Fr= 1--      26.428                  4.416                 -6.119
 CID1   Fr= 1--      12.092                  7.759                 -2.034
 Raman2 Fr= 1--       0.801                  0.240                  0.400
 ROA2   Fr= 1--       4.158                 -0.207                 -2.216
 CID2   Fr= 1--       5.194                 -0.863                 -5.540
 Raman3 Fr= 1--       1.601                  0.481                  0.800
 ROA3   Fr= 1--      26.428                  4.416                 -6.119
 CID3   Fr= 1--      16.505                  9.182                 -7.647
 RC180  Fr= 1--       0.465                  0.690                 -0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.07  -0.02  -0.02     0.03  -0.05  -0.02
     2   6    -0.06  -0.03  -0.03     0.03   0.01   0.01     0.00  -0.04  -0.01
     3   6    -0.04   0.13  -0.05     0.07  -0.01  -0.07     0.02  -0.01  -0.03
     4   6    -0.06   0.12  -0.08     0.04   0.01  -0.08     0.01   0.02  -0.01
     5   6    -0.11   0.11  -0.06     0.03  -0.03  -0.09    -0.00  -0.03  -0.03
     6   6    -0.11   0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.06  -0.03
     7   6    -0.06  -0.13   0.04     0.01   0.02   0.09    -0.02   0.01   0.02
     8   6    -0.01  -0.06   0.02    -0.01   0.03   0.04    -0.03   0.02   0.01
     9   6    -0.05   0.04   0.04     0.01  -0.02  -0.04    -0.02   0.01  -0.03
    10   6     0.11  -0.09  -0.03    -0.05   0.04   0.02    -0.05   0.03   0.03
    11   6    -0.03  -0.01  -0.05     0.01   0.03   0.00     0.01   0.03  -0.00
    12   6     0.02  -0.01  -0.01    -0.01   0.02   0.01    -0.00   0.02   0.00
    13   8     0.09  -0.01   0.02    -0.03  -0.04  -0.04     0.01  -0.00  -0.01
    14   8     0.06  -0.00   0.04    -0.08   0.01   0.05    -0.02   0.02   0.04
    15   1     0.02   0.04   0.01     0.09  -0.02  -0.01     0.05  -0.06  -0.02
    16   1    -0.01   0.16  -0.05     0.11  -0.01  -0.09     0.03  -0.01  -0.03
    17   1    -0.15   0.13  -0.08     0.01  -0.05  -0.12    -0.01  -0.03  -0.05
    18   1    -0.14  -0.00  -0.04    -0.02  -0.06  -0.04    -0.00  -0.08  -0.03
    19   1    -0.01  -0.12   0.16     0.02   0.02   0.15    -0.05   0.01   0.02
    20   1    -0.12  -0.24   0.03    -0.03  -0.05   0.08    -0.02   0.01   0.02
    21   1    -0.02  -0.05   0.02    -0.06   0.06   0.06    -0.04   0.02   0.01
    22   1    -0.13   0.05   0.03     0.01   0.00   0.06    -0.09   0.07   0.19
    23   1    -0.07   0.09   0.05     0.11  -0.14  -0.08     0.10  -0.22  -0.09
    24   1     0.01   0.09   0.08    -0.06   0.03  -0.17    -0.05   0.18  -0.24
    25   1     0.09  -0.02  -0.12    -0.13   0.02  -0.06     0.10   0.01   0.23
    26   1     0.22  -0.12  -0.05     0.04   0.00  -0.00    -0.30   0.09   0.09
    27   1     0.10  -0.15   0.06    -0.08   0.08   0.11     0.01  -0.00  -0.19
    28   1    -0.12  -0.12  -0.09    -0.04  -0.02  -0.02     0.00   0.01  -0.01
    29   6     0.17  -0.07   0.13    -0.03   0.01   0.13     0.07   0.02   0.05
    30   1     0.13   0.01   0.08    -0.14  -0.06   0.03    -0.03  -0.01   0.04
    31   1     0.19  -0.07   0.14    -0.35   0.02  -0.14     0.37  -0.07   0.34
    32   1     0.30   0.06   0.19     0.39   0.05   0.06    -0.28   0.11   0.18
    33   1     0.18  -0.27   0.20    -0.15  -0.04   0.59     0.19  -0.00  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    227.9483               235.8238               254.6764
 Red. masses --      1.1418                 1.8868                 1.3197
 Frc consts  --      0.0350                 0.0618                 0.0504
 IR Inten    --      0.5015                 0.2543                 0.3908
 RamAct Fr= 1--      0.1331                 1.7853                 0.4364
  Dep-P Fr= 1--      0.4345                 0.1752                 0.7434
  Dep-U Fr= 1--      0.6058                 0.2982                 0.8528
 Alpha2 Fr= 1--      0.0009                 0.0259                 0.0000
 Beta2  Fr= 1--      0.0134                 0.0887                 0.0620
 AlphaG Fr= 1--      0.0042                 0.0057                 0.0018
 Gamma2 Fr= 1--     -0.0480                -0.3091                 0.2210
 Delta2 Fr= 1--     -0.0263                -0.2239                 0.3000
 Raman1 Fr= 1--       0.532                  7.141                  1.746
 ROA1   Fr= 1--      -5.452                -36.837                 30.812
 CID1   Fr= 1--     -10.244                 -5.159                 17.652
 Raman2 Fr= 1--       0.161                  1.065                  0.744
 ROA2   Fr= 1--      -0.942                 -5.628                  2.904
 CID2   Fr= 1--      -5.841                 -5.285                  3.901
 Raman3 Fr= 1--       0.322                  2.130                  1.489
 ROA3   Fr= 1--      -5.452                -36.837                 30.812
 CID3   Fr= 1--     -16.909                -17.298                 20.699
 RC180  Fr= 1--       0.212                 -0.404                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01     0.02  -0.07  -0.02    -0.02  -0.02  -0.03
     2   6    -0.01  -0.02   0.00    -0.01  -0.06  -0.01    -0.01  -0.01  -0.03
     3   6    -0.02   0.01   0.02     0.01  -0.03   0.00    -0.03  -0.02  -0.00
     4   6    -0.01   0.00   0.02     0.01   0.02   0.04    -0.01   0.00   0.02
     5   6    -0.01   0.01   0.03     0.01  -0.05   0.01     0.01  -0.02   0.00
     6   6    -0.01   0.00   0.02     0.02  -0.09  -0.01     0.01  -0.02  -0.02
     7   6    -0.00  -0.01  -0.03    -0.03   0.00  -0.02    -0.02   0.02  -0.01
     8   6     0.00  -0.01  -0.01    -0.04   0.02  -0.02    -0.01   0.01   0.02
     9   6    -0.00   0.01  -0.02    -0.06   0.05   0.01     0.00  -0.02   0.02
    10   6     0.01  -0.01   0.02    -0.09   0.02  -0.01     0.00   0.02   0.02
    11   6    -0.00  -0.01   0.01     0.02   0.04   0.03    -0.01  -0.00   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.02   0.02    -0.01  -0.00   0.03
    13   8    -0.00   0.02   0.02    -0.02   0.04   0.02    -0.03   0.04   0.05
    14   8     0.02  -0.00  -0.03    -0.00   0.02  -0.01     0.02   0.00  -0.02
    15   1    -0.02  -0.00   0.01     0.04  -0.09  -0.02    -0.03  -0.03  -0.04
    16   1    -0.03   0.01   0.03     0.00  -0.03   0.01    -0.04  -0.02   0.00
    17   1    -0.02   0.02   0.03     0.00  -0.05  -0.00     0.02  -0.03   0.01
    18   1    -0.00   0.00   0.02     0.04  -0.11  -0.03     0.03  -0.02  -0.03
    19   1    -0.02  -0.01  -0.06    -0.07   0.01  -0.03    -0.03   0.02  -0.04
    20   1     0.01   0.02  -0.02    -0.01   0.02  -0.02    -0.04   0.06  -0.00
    21   1     0.01  -0.03  -0.02    -0.03   0.01  -0.02    -0.01   0.02   0.02
    22   1    -0.09   0.08   0.25    -0.00  -0.04  -0.37    -0.04   0.05   0.33
    23   1     0.10  -0.26  -0.08    -0.22   0.45   0.10     0.10  -0.35  -0.05
    24   1    -0.01   0.21  -0.23     0.00  -0.19   0.33    -0.03   0.17  -0.22
    25   1     0.25  -0.00   0.29    -0.09  -0.00   0.02    -0.28  -0.00  -0.29
    26   1    -0.32   0.08   0.10    -0.14   0.03  -0.00     0.42  -0.05  -0.07
    27   1     0.11  -0.09  -0.29    -0.09   0.06  -0.05    -0.11   0.09   0.42
    28   1    -0.00   0.00   0.01     0.02   0.05   0.04    -0.01   0.02   0.04
    29   6     0.03  -0.00  -0.04     0.16   0.03  -0.03     0.08   0.00  -0.06
    30   1     0.04   0.03  -0.03    -0.02   0.03  -0.02     0.02   0.04  -0.02
    31   1    -0.17   0.12  -0.28     0.10   0.19  -0.16     0.12   0.11  -0.08
    32   1     0.36  -0.08  -0.16     0.40  -0.01  -0.11     0.12  -0.05  -0.10
    33   1    -0.04  -0.06   0.25     0.15  -0.10   0.11     0.10  -0.06  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.0842               309.0713               358.0691
 Red. masses --      2.7521                 3.7794                 2.9075
 Frc consts  --      0.1441                 0.2127                 0.2196
 IR Inten    --      0.3940                 0.9527                 0.9103
 RamAct Fr= 1--      1.6955                 1.3049                 1.6714
  Dep-P Fr= 1--      0.1040                 0.7443                 0.7484
  Dep-U Fr= 1--      0.1884                 0.8534                 0.8561
 Alpha2 Fr= 1--      0.0294                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0532                 0.1856                 0.2385
 AlphaG Fr= 1--     -0.0013                -0.0004                 0.0005
 Gamma2 Fr= 1--     -0.1627                -0.8837                 0.6424
 Delta2 Fr= 1--      0.0844                -0.8386                 0.1278
 Raman1 Fr= 1--       6.782                  5.220                  6.686
 ROA1   Fr= 1--     -12.924               -111.671                 65.755
 CID1   Fr= 1--      -1.906                -21.395                  9.835
 Raman2 Fr= 1--       0.639                  2.227                  2.862
 ROA2   Fr= 1--      -4.581                -14.500                 14.394
 CID2   Fr= 1--      -7.172                 -6.511                  5.030
 Raman3 Fr= 1--       1.277                  4.454                  5.723
 ROA3   Fr= 1--     -12.924               -111.671                 65.755
 CID3   Fr= 1--     -10.117                -25.070                 11.489
 RC180  Fr= 1--      -0.623                  0.707                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.05  -0.09   0.07    -0.05   0.04   0.04
     2   6     0.00  -0.01   0.00    -0.02  -0.14   0.03    -0.06   0.11   0.08
     3   6    -0.02   0.02  -0.03    -0.06   0.02   0.09     0.00  -0.12  -0.04
     4   6    -0.07   0.02  -0.05    -0.08   0.03   0.06     0.01  -0.09  -0.03
     5   6    -0.06   0.02  -0.06    -0.10   0.01   0.07     0.00  -0.10  -0.03
     6   6    -0.05  -0.01  -0.04    -0.06  -0.10   0.05    -0.04   0.03   0.04
     7   6     0.03   0.00   0.11     0.00   0.06  -0.11    -0.03   0.11  -0.01
     8   6     0.08   0.09   0.05     0.08   0.08  -0.06    -0.06   0.00   0.02
     9   6     0.18  -0.10  -0.08     0.12  -0.07  -0.01    -0.02  -0.11  -0.00
    10   6     0.02   0.09   0.01    -0.02   0.12   0.03     0.17  -0.04  -0.05
    11   6    -0.08  -0.04   0.00    -0.03   0.03  -0.09    -0.01   0.02  -0.02
    12   6    -0.05  -0.03   0.05     0.01   0.04  -0.12    -0.01   0.06  -0.02
    13   8    -0.06   0.06   0.11     0.15  -0.06  -0.13     0.01   0.03  -0.03
    14   8     0.02  -0.02  -0.01    -0.00   0.05   0.03    -0.07   0.07   0.07
    15   1    -0.01  -0.01  -0.00    -0.04  -0.09   0.08    -0.06   0.06   0.05
    16   1     0.02   0.04  -0.04    -0.05   0.06   0.10     0.02  -0.19  -0.08
    17   1    -0.06   0.02  -0.06    -0.13   0.06   0.08     0.02  -0.15  -0.06
    18   1    -0.10  -0.03  -0.03    -0.09  -0.13   0.05    -0.04   0.05   0.05
    19   1     0.00   0.04   0.26    -0.18   0.07  -0.28    -0.01   0.07  -0.21
    20   1    -0.04  -0.13   0.10     0.11   0.24  -0.10     0.03   0.29   0.00
    21   1     0.05   0.13   0.06     0.14   0.05  -0.07    -0.06  -0.00   0.02
    22   1     0.40  -0.19  -0.30     0.28  -0.09   0.01     0.13  -0.15  -0.05
    23   1     0.23   0.04  -0.07     0.08  -0.13  -0.01    -0.04  -0.11   0.00
    24   1    -0.00  -0.38  -0.02     0.05  -0.16  -0.01    -0.11  -0.24   0.03
    25   1     0.10   0.08   0.13    -0.16   0.01  -0.03     0.36   0.17  -0.05
    26   1    -0.15   0.10   0.05     0.12   0.17   0.02     0.17  -0.07  -0.06
    27   1     0.05   0.11  -0.14    -0.08   0.20   0.20     0.26  -0.28  -0.14
    28   1    -0.15  -0.04   0.02     0.05  -0.03  -0.15     0.02   0.01  -0.04
    29   6     0.03  -0.06  -0.07     0.00   0.00   0.07     0.10   0.00  -0.00
    30   1     0.09   0.07  -0.00     0.10  -0.02   0.13    -0.07  -0.03   0.11
    31   1     0.11   0.03  -0.04    -0.06  -0.06   0.05     0.16   0.07   0.02
    32   1     0.02  -0.09  -0.09     0.12   0.13   0.12     0.17   0.04   0.01
    33   1     0.07  -0.12  -0.16    -0.02  -0.08   0.21     0.13  -0.14  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    383.3109               409.5839               418.8151
 Red. masses --      2.9200                 2.9284                 2.9718
 Frc consts  --      0.2528                 0.2894                 0.3071
 IR Inten    --      0.4850                 2.4397                 0.0037
 RamAct Fr= 1--      1.1058                 4.0891                 0.0172
  Dep-P Fr= 1--      0.1072                 0.1216                 0.0895
  Dep-U Fr= 1--      0.1936                 0.2168                 0.1642
 Alpha2 Fr= 1--      0.0190                 0.0679                 0.0003
 Beta2  Fr= 1--      0.0357                 0.1478                 0.0005
 AlphaG Fr= 1--      0.0193                 0.0267                 0.0098
 Gamma2 Fr= 1--      0.0901                 0.7763                 0.0279
 Delta2 Fr= 1--     -0.0915                 0.2149                 0.0006
 Raman1 Fr= 1--       4.423                 16.357                  0.069
 ROA1   Fr= 1--       5.721                 81.405                  2.700
 CID1   Fr= 1--       1.293                  4.977                 39.310
 Raman2 Fr= 1--       0.428                  1.773                  0.006
 ROA2   Fr= 1--       2.895                 16.913                  0.665
 CID2   Fr= 1--       6.762                  9.537                117.958
 Raman3 Fr= 1--       0.856                  3.547                  0.011
 ROA3   Fr= 1--       5.721                 81.405                  2.700
 CID3   Fr= 1--       6.682                 22.951                239.382
 RC180  Fr= 1--      -0.613                 -0.566                 -0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.00   0.14    -0.04   0.03   0.03     0.06  -0.18  -0.09
     2   6     0.02  -0.05   0.14     0.03   0.05   0.01    -0.00  -0.01   0.01
     3   6     0.12   0.03  -0.06    -0.03  -0.06   0.02    -0.05   0.18   0.10
     4   6     0.02   0.03  -0.13    -0.03  -0.10  -0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.03  -0.10     0.01  -0.05  -0.01     0.05  -0.18  -0.11
     6   6    -0.07  -0.04   0.08    -0.00   0.07   0.01    -0.07   0.17   0.11
     7   6     0.06   0.05  -0.12     0.08  -0.04   0.00    -0.00   0.00  -0.01
     8   6     0.03  -0.03  -0.09     0.12  -0.08   0.05    -0.00   0.00  -0.02
     9   6    -0.01   0.04   0.03     0.10   0.13  -0.01    -0.01  -0.01   0.00
    10   6    -0.02  -0.01  -0.01    -0.11  -0.08  -0.01     0.01   0.01  -0.00
    11   6    -0.03  -0.02  -0.01    -0.06  -0.04  -0.06     0.00   0.00  -0.00
    12   6    -0.02  -0.03   0.06    -0.05   0.06  -0.05     0.00  -0.00   0.01
    13   8    -0.08   0.04   0.09     0.03   0.05  -0.02    -0.00   0.00   0.00
    14   8     0.00  -0.04   0.00    -0.08   0.09   0.10     0.00  -0.00  -0.00
    15   1     0.16   0.03   0.24    -0.09   0.05  -0.01     0.14  -0.38  -0.19
    16   1     0.25   0.08  -0.10    -0.03  -0.05   0.02    -0.11   0.38   0.21
    17   1    -0.15   0.06  -0.16     0.06  -0.07   0.01     0.11  -0.38  -0.22
    18   1    -0.20  -0.09   0.12    -0.02   0.11   0.03    -0.14   0.37   0.22
    19   1    -0.06   0.02  -0.44     0.14  -0.06  -0.01    -0.00   0.00  -0.02
    20   1     0.29   0.34  -0.12     0.04  -0.03   0.01     0.02   0.01  -0.01
    21   1     0.08  -0.08  -0.10     0.14  -0.08   0.05     0.00  -0.00  -0.02
    22   1    -0.08   0.07   0.10    -0.17   0.16  -0.05     0.01  -0.01   0.02
    23   1    -0.10   0.01   0.05     0.24   0.22  -0.03    -0.03  -0.02   0.01
    24   1     0.10   0.13   0.07     0.19   0.29  -0.08    -0.00  -0.02   0.02
    25   1    -0.09  -0.09  -0.02    -0.27  -0.21  -0.06     0.02   0.01   0.01
    26   1     0.03   0.03  -0.01    -0.20  -0.22  -0.02     0.02   0.03   0.00
    27   1    -0.05   0.04   0.07    -0.20   0.21  -0.05     0.02  -0.01   0.01
    28   1    -0.14  -0.02   0.02    -0.00  -0.07  -0.10    -0.01   0.00   0.00
    29   6    -0.01  -0.03  -0.02     0.04  -0.08  -0.04     0.00   0.00   0.01
    30   1    -0.01  -0.00  -0.03     0.04  -0.03   0.22    -0.00   0.00  -0.01
    31   1     0.02  -0.04   0.01     0.10   0.00  -0.03     0.01  -0.00   0.01
    32   1    -0.05  -0.03  -0.01     0.12  -0.05  -0.04    -0.00   0.01   0.01
    33   1    -0.00  -0.03  -0.06     0.07  -0.22  -0.05     0.00   0.00   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.3553               477.7641               510.6508
 Red. masses --      2.0275                 3.8699                 3.0260
 Frc consts  --      0.2151                 0.5204                 0.4649
 IR Inten    --      0.8962                12.1763                 1.5201
 RamAct Fr= 1--      0.4514                 0.7647                 0.5119
  Dep-P Fr= 1--      0.2601                 0.1978                 0.6120
  Dep-U Fr= 1--      0.4128                 0.3303                 0.7593
 Alpha2 Fr= 1--      0.0052                 0.0104                 0.0013
 Beta2  Fr= 1--      0.0311                 0.0421                 0.0648
 AlphaG Fr= 1--      0.0036                -0.0126                -0.0062
 Gamma2 Fr= 1--      0.0950                 0.3674                 0.1073
 Delta2 Fr= 1--     -0.1326                 0.1982                 0.1101
 Raman1 Fr= 1--       1.806                  3.059                  2.047
 ROA1   Fr= 1--       4.882                 41.614                 13.819
 CID1   Fr= 1--       2.703                 13.605                  6.749
 Raman2 Fr= 1--       0.373                  0.505                  0.777
 ROA2   Fr= 1--       3.342                  7.232                  1.693
 CID2   Fr= 1--       8.967                 14.317                  2.178
 Raman3 Fr= 1--       0.745                  1.010                  1.555
 ROA3   Fr= 1--       4.882                 41.614                 13.819
 CID3   Fr= 1--       6.550                 41.193                  8.888
 RC180  Fr= 1--      -0.174                 -0.339                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.02    -0.11   0.08   0.02    -0.00  -0.04   0.02
     2   6     0.00  -0.02  -0.00    -0.12   0.02   0.01     0.03   0.17   0.10
     3   6    -0.01   0.04   0.01    -0.04  -0.07  -0.07    -0.01  -0.09   0.02
     4   6    -0.02   0.07   0.02     0.04  -0.09  -0.05    -0.13   0.11   0.07
     5   6    -0.01   0.02   0.00    -0.06  -0.10  -0.02     0.01  -0.05  -0.05
     6   6     0.01  -0.04  -0.02    -0.12   0.05   0.06     0.02  -0.00  -0.04
     7   6    -0.02   0.12   0.02    -0.05  -0.07  -0.05     0.10   0.02   0.02
     8   6     0.00  -0.03   0.19     0.10  -0.02  -0.00     0.01  -0.03  -0.07
     9   6     0.03   0.03  -0.03     0.14   0.04  -0.01    -0.02   0.01   0.01
    10   6    -0.01  -0.10  -0.06    -0.03  -0.01   0.00     0.00  -0.02   0.00
    11   6    -0.01   0.02   0.01     0.08   0.12   0.08    -0.13   0.08  -0.03
    12   6     0.00  -0.03   0.00     0.11  -0.01   0.09    -0.10  -0.05  -0.02
    13   8     0.01  -0.03   0.01    -0.02  -0.08  -0.01     0.03  -0.08   0.02
    14   8     0.04  -0.03  -0.04     0.07  -0.06  -0.09     0.06  -0.04  -0.09
    15   1     0.02  -0.08  -0.03    -0.11   0.14   0.08    -0.00  -0.23  -0.14
    16   1    -0.01   0.05   0.01    -0.10  -0.10  -0.06     0.10  -0.27  -0.11
    17   1    -0.01   0.02  -0.01    -0.11  -0.09  -0.06     0.13  -0.25  -0.10
    18   1     0.01  -0.06  -0.03    -0.12   0.12   0.09     0.04  -0.22  -0.14
    19   1    -0.06   0.06  -0.34    -0.05  -0.06   0.01     0.23   0.01   0.11
    20   1    -0.05   0.50   0.09    -0.08  -0.10  -0.05     0.16  -0.11  -0.01
    21   1    -0.03  -0.03   0.20     0.17  -0.04  -0.02     0.00  -0.03  -0.07
    22   1    -0.08   0.02  -0.18     0.08   0.04  -0.04    -0.06   0.03   0.07
    23   1     0.27   0.15  -0.08     0.21   0.06  -0.03    -0.12   0.00   0.04
    24   1    -0.06   0.02  -0.14     0.12   0.06  -0.05     0.09   0.08   0.07
    25   1     0.02   0.08  -0.21    -0.14  -0.14   0.01    -0.00  -0.08   0.05
    26   1    -0.06  -0.41  -0.12    -0.09  -0.04   0.01     0.00   0.06   0.02
    27   1     0.01  -0.04  -0.22    -0.09   0.16   0.00    -0.00  -0.02   0.03
    28   1    -0.02   0.02   0.02     0.02   0.20   0.15    -0.13   0.10  -0.01
    29   6    -0.02   0.03   0.02     0.06   0.20   0.08    -0.00   0.09   0.04
    30   1     0.05   0.04  -0.06    -0.26   0.02  -0.35     0.40   0.26   0.04
    31   1    -0.04  -0.00   0.01     0.07   0.17   0.10     0.03   0.07   0.08
    32   1    -0.04   0.03   0.02     0.03   0.23   0.10     0.06   0.19   0.09
    33   1    -0.03   0.06   0.03     0.06   0.20   0.07     0.01  -0.05   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    591.7572               617.7631               641.9024
 Red. masses --      2.0213                 1.7875                 3.3510
 Frc consts  --      0.4170                 0.4019                 0.8135
 IR Inten    --     49.2852                62.5229                20.9174
 RamAct Fr= 1--      1.2508                 1.0499                 3.3008
  Dep-P Fr= 1--      0.2233                 0.7470                 0.6548
  Dep-U Fr= 1--      0.3651                 0.8552                 0.7914
 Alpha2 Fr= 1--      0.0160                 0.0001                 0.0056
 Beta2  Fr= 1--      0.0761                 0.1496                 0.4354
 AlphaG Fr= 1--     -0.0070                 0.0021                -0.0306
 Gamma2 Fr= 1--     -0.3556                -1.0779                -0.0889
 Delta2 Fr= 1--     -0.0585                -0.4112                 0.1386
 Raman1 Fr= 1--       5.003                  4.200                 13.203
 ROA1   Fr= 1--     -36.007               -116.639                 -4.101
 CID1   Fr= 1--      -7.197                -27.774                 -0.311
 Raman2 Fr= 1--       0.913                  1.796                  5.224
 ROA2   Fr= 1--      -8.066                -22.580                 -3.242
 CID2   Fr= 1--      -8.832                -12.575                 -0.621
 Raman3 Fr= 1--       1.827                  3.591                 10.449
 ROA3   Fr= 1--     -36.007               -116.639                 -4.101
 CID3   Fr= 1--     -19.714                -32.478                 -0.392
 RC180  Fr= 1--      -0.270                  0.710                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.02     0.01   0.04  -0.03    -0.09  -0.03   0.05
     2   6     0.08  -0.11  -0.07    -0.09   0.03   0.01    -0.01  -0.05   0.04
     3   6     0.02  -0.02   0.04     0.04   0.02  -0.04    -0.06   0.03  -0.13
     4   6     0.02  -0.14  -0.06     0.06   0.06   0.04     0.02   0.03  -0.05
     5   6     0.02   0.00   0.01     0.00  -0.04   0.03     0.11   0.06  -0.07
     6   6     0.02   0.05  -0.01    -0.02  -0.01   0.04     0.08  -0.01   0.11
     7   6     0.01   0.00   0.01    -0.08  -0.03  -0.04    -0.02  -0.02   0.00
     8   6    -0.03   0.01   0.02     0.02  -0.00   0.00    -0.00   0.00   0.01
     9   6    -0.04  -0.01  -0.00     0.05   0.01   0.00     0.01   0.00   0.00
    10   6    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.06   0.06  -0.06     0.09  -0.01  -0.01    -0.03  -0.04   0.18
    12   6    -0.08  -0.04  -0.01    -0.03  -0.04  -0.05    -0.02   0.08   0.08
    13   8    -0.02  -0.02   0.04    -0.03   0.06   0.01     0.05  -0.15  -0.06
    14   8    -0.01  -0.03  -0.04    -0.06  -0.06   0.01    -0.06   0.14  -0.09
    15   1    -0.10   0.29   0.14     0.11  -0.06  -0.04    -0.02  -0.00   0.13
    16   1    -0.05   0.22   0.17     0.02  -0.12  -0.10    -0.02   0.08  -0.13
    17   1    -0.01   0.22   0.17    -0.02  -0.15  -0.07     0.04   0.07  -0.13
    18   1    -0.05   0.29   0.13     0.07  -0.08  -0.02     0.01  -0.01   0.14
    19   1    -0.03   0.01  -0.03    -0.09  -0.03  -0.02    -0.04  -0.01   0.02
    20   1    -0.01   0.04   0.02    -0.09  -0.03  -0.04    -0.02  -0.04  -0.00
    21   1    -0.06   0.03   0.03     0.07  -0.02  -0.01     0.00   0.01   0.01
    22   1    -0.03  -0.01  -0.01     0.06  -0.00  -0.02     0.01  -0.00  -0.01
    23   1    -0.04  -0.01  -0.00     0.09   0.01  -0.01     0.02   0.00  -0.00
    24   1    -0.06  -0.02  -0.00     0.01  -0.01  -0.03    -0.01  -0.01  -0.01
    25   1     0.03   0.06  -0.02    -0.03  -0.03   0.00    -0.01   0.00  -0.00
    26   1     0.01  -0.01  -0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.02  -0.01    -0.01   0.04  -0.00    -0.00   0.01  -0.00
    28   1    -0.04   0.12  -0.02     0.13  -0.02  -0.02    -0.07  -0.11   0.14
    29   6     0.02   0.09   0.02     0.00   0.01   0.00    -0.01  -0.06  -0.00
    30   1     0.53   0.23   0.24     0.70   0.06   0.50     0.45   0.51   0.13
    31   1     0.07   0.04   0.09    -0.09  -0.10  -0.02     0.05   0.19  -0.07
    32   1     0.10   0.25   0.11    -0.06  -0.01   0.01    -0.04  -0.32  -0.16
    33   1     0.04  -0.08   0.07    -0.04   0.14   0.05     0.02   0.00  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4875               715.0433               762.2759
 Red. masses --      5.2470                 3.3663                 3.6730
 Frc consts  --      1.3691                 1.0141                 1.2575
 IR Inten    --      6.5434                32.8880                 4.8961
 RamAct Fr= 1--      5.1059                 1.7077                13.4337
  Dep-P Fr= 1--      0.4788                 0.0871                 0.0379
  Dep-U Fr= 1--      0.6475                 0.1602                 0.0731
 Alpha2 Fr= 1--      0.0277                 0.0309                 0.2731
 Beta2  Fr= 1--      0.5511                 0.0456                 0.1637
 AlphaG Fr= 1--     -0.0150                 0.0456                -0.0129
 Gamma2 Fr= 1--      0.1352                 0.8643                 0.0992
 Delta2 Fr= 1--     -0.4002                 0.2885                -0.1247
 Raman1 Fr= 1--      20.424                  6.831                 53.735
 ROA1   Fr= 1--       0.174                 92.208                  5.530
 CID1   Fr= 1--       0.009                 13.499                  0.103
 Raman2 Fr= 1--       6.613                  0.547                  1.964
 ROA2   Fr= 1--       6.447                 18.435                  3.377
 CID2   Fr= 1--       0.975                 33.696                  1.719
 Raman3 Fr= 1--      13.225                  1.094                  3.928
 ROA3   Fr= 1--       0.174                 92.208                  5.530
 CID3   Fr= 1--       0.013                 84.270                  1.408
 RC180  Fr= 1--       0.295                 -0.680                 -0.854
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.14  -0.09    -0.05  -0.10  -0.01    -0.06   0.07   0.10
     2   6    -0.01   0.03  -0.07     0.04   0.07   0.04     0.12  -0.18  -0.09
     3   6     0.21  -0.03   0.15    -0.10   0.02   0.05     0.00  -0.13  -0.01
     4   6     0.01  -0.03   0.07    -0.02  -0.09  -0.06    -0.11   0.18   0.10
     5   6    -0.21  -0.12   0.07    -0.12   0.06  -0.02     0.01  -0.07  -0.12
     6   6    -0.19   0.04  -0.16    -0.07  -0.05  -0.12    -0.06   0.15  -0.03
     7   6    -0.02   0.00  -0.03     0.14   0.09   0.08     0.08  -0.05   0.00
     8   6     0.00  -0.00  -0.01     0.01  -0.01  -0.04    -0.00   0.01   0.06
     9   6     0.01  -0.00  -0.00    -0.02  -0.00  -0.01    -0.08  -0.02  -0.00
    10   6     0.00   0.01  -0.00    -0.00  -0.03  -0.00     0.01   0.07  -0.00
    11   6    -0.02  -0.04   0.13     0.11  -0.03   0.09     0.03  -0.02   0.08
    12   6    -0.02   0.07   0.09     0.20   0.04   0.04     0.07   0.00  -0.04
    13   8     0.03  -0.14  -0.02    -0.04   0.04  -0.07     0.01   0.06  -0.05
    14   8    -0.03   0.13  -0.07    -0.08  -0.06  -0.01    -0.01  -0.06   0.01
    15   1     0.20   0.15  -0.11    -0.15  -0.09  -0.09    -0.18   0.23   0.13
    16   1     0.13  -0.06   0.17    -0.14   0.16   0.13     0.11  -0.31  -0.13
    17   1    -0.16  -0.14   0.10    -0.15   0.19   0.05     0.14  -0.30  -0.20
    18   1    -0.11   0.08  -0.18    -0.17  -0.10  -0.10    -0.19   0.24   0.06
    19   1    -0.05  -0.01  -0.14     0.21   0.07   0.07    -0.01  -0.06  -0.16
    20   1     0.00   0.11  -0.02     0.20   0.05   0.06     0.08   0.11   0.03
    21   1     0.02  -0.01  -0.01    -0.07   0.01  -0.02    -0.05   0.04   0.07
    22   1     0.02  -0.00  -0.00    -0.07   0.02   0.05    -0.10  -0.02  -0.03
    23   1     0.00  -0.00  -0.00    -0.14   0.00   0.02    -0.03  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.10   0.06   0.07    -0.11  -0.03  -0.03
    25   1    -0.00  -0.01   0.00     0.01  -0.04   0.03     0.02   0.12  -0.04
    26   1    -0.00   0.01  -0.00     0.01   0.02   0.01     0.00   0.01  -0.01
    27   1    -0.00   0.01   0.00     0.00  -0.06   0.02     0.01   0.08  -0.03
    28   1    -0.04  -0.09   0.10     0.05  -0.03   0.10     0.01  -0.09   0.05
    29   6    -0.01  -0.09  -0.00     0.03   0.03   0.02     0.01   0.01   0.02
    30   1     0.15   0.43  -0.05     0.45  -0.06   0.36     0.07  -0.20   0.12
    31   1     0.03   0.11  -0.06    -0.01   0.08  -0.03    -0.04   0.09  -0.06
    32   1    -0.03  -0.30  -0.13    -0.04  -0.11  -0.06    -0.08  -0.18  -0.08
    33   1     0.01  -0.05  -0.12     0.01   0.19  -0.03    -0.01   0.20  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.2735               826.7717               840.8051
 Red. masses --      2.4206                 3.1942                 2.8009
 Frc consts  --      0.9088                 1.2864                 1.1667
 IR Inten    --     16.7094                 9.2373                 0.9870
 RamAct Fr= 1--      9.2062                 6.8982                20.3837
  Dep-P Fr= 1--      0.0607                 0.2125                 0.0362
  Dep-U Fr= 1--      0.1144                 0.3505                 0.0698
 Alpha2 Fr= 1--      0.1773                 0.0906                 0.4161
 Beta2  Fr= 1--      0.1755                 0.4030                 0.2372
 AlphaG Fr= 1--     -0.0064                -0.0791                 0.0232
 Gamma2 Fr= 1--     -0.9273                 1.6567                 1.5817
 Delta2 Fr= 1--     -0.8620                 1.0773                 0.1663
 Raman1 Fr= 1--      36.825                 27.593                 81.535
 ROA1   Fr= 1--    -116.605                193.515                157.164
 CID1   Fr= 1--      -3.166                  7.013                  1.928
 Raman2 Fr= 1--       2.107                  4.836                  2.846
 ROA2   Fr= 1--     -15.359                 31.142                 36.630
 CID2   Fr= 1--      -7.291                  6.440                 12.869
 Raman3 Fr= 1--       4.213                  9.671                  5.693
 ROA3   Fr= 1--    -116.605                193.515                157.164
 CID3   Fr= 1--     -27.676                 20.010                 27.608
 RC180  Fr= 1--      -0.771                 -0.299                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06     0.03  -0.00   0.03     0.06  -0.04   0.03
     2   6     0.01   0.02   0.01     0.00  -0.05  -0.04    -0.03   0.08   0.05
     3   6     0.00   0.03   0.10     0.05  -0.04   0.04     0.06  -0.03   0.06
     4   6    -0.02  -0.07  -0.04    -0.06   0.08   0.04    -0.03  -0.05  -0.03
     5   6     0.02   0.07   0.01     0.05  -0.01  -0.01     0.04   0.06  -0.05
     6   6     0.03   0.05  -0.01     0.04   0.02   0.01     0.03   0.02  -0.05
     7   6    -0.03  -0.12  -0.09    -0.13   0.11   0.02    -0.12  -0.05  -0.07
     8   6    -0.00  -0.00   0.09    -0.03   0.05  -0.10    -0.01   0.00   0.01
     9   6    -0.05  -0.01   0.02     0.12   0.05  -0.01     0.03   0.01   0.02
    10   6     0.02   0.10   0.00    -0.04  -0.17   0.01     0.00   0.00   0.00
    11   6    -0.05   0.02  -0.08    -0.10   0.04  -0.06    -0.12  -0.03   0.16
    12   6     0.16   0.04   0.11     0.20   0.05   0.09    -0.02  -0.01  -0.12
    13   8    -0.05  -0.01  -0.02    -0.04   0.01  -0.05     0.05   0.07  -0.07
    14   8    -0.04  -0.01  -0.03    -0.04  -0.04  -0.02     0.03  -0.09   0.02
    15   1     0.10  -0.38  -0.19    -0.02   0.16   0.13     0.05   0.02   0.08
    16   1     0.16  -0.25  -0.09     0.11  -0.04   0.02     0.08   0.27   0.18
    17   1     0.17  -0.17  -0.06     0.11  -0.03   0.03     0.07   0.13   0.03
    18   1     0.14  -0.29  -0.20     0.02   0.20   0.10     0.02  -0.07  -0.08
    19   1    -0.03  -0.14  -0.16    -0.22   0.18   0.25    -0.11  -0.04  -0.02
    20   1    -0.05  -0.02  -0.07    -0.20  -0.10  -0.00    -0.13  -0.08  -0.07
    21   1     0.09  -0.03   0.06    -0.06   0.03  -0.09     0.09  -0.03  -0.02
    22   1    -0.05  -0.04  -0.10     0.24   0.05   0.10     0.08  -0.01  -0.04
    23   1     0.15   0.01  -0.03    -0.05  -0.03   0.02     0.15   0.00  -0.01
    24   1    -0.22  -0.08  -0.11     0.19   0.03   0.09    -0.09  -0.05  -0.06
    25   1     0.00   0.16  -0.07     0.01  -0.19   0.08    -0.01   0.01  -0.01
    26   1    -0.01  -0.02  -0.02     0.03  -0.03   0.03    -0.00  -0.01  -0.00
    27   1     0.01   0.17  -0.07    -0.01  -0.31   0.10    -0.00   0.01  -0.00
    28   1    -0.12   0.13   0.01    -0.22   0.14   0.04    -0.13  -0.16   0.08
    29   6    -0.01  -0.02  -0.03    -0.04  -0.06  -0.03    -0.02   0.08   0.07
    30   1     0.12   0.06   0.06     0.11  -0.05   0.08    -0.00  -0.33   0.09
    31   1     0.06  -0.06   0.06     0.07  -0.04   0.05     0.12   0.55  -0.02
    32   1     0.07   0.16   0.07     0.07   0.10   0.05     0.04  -0.24  -0.14
    33   1     0.01  -0.22   0.02     0.00  -0.30  -0.01     0.06   0.01  -0.17
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.4731               856.4455               874.0173
 Red. masses --      1.4927                 2.3570                 1.8588
 Frc consts  --      0.6391                 1.0186                 0.8366
 IR Inten    --      1.4285                 2.9442                15.4538
 RamAct Fr= 1--      3.2145                 8.8622                 1.9889
  Dep-P Fr= 1--      0.2456                 0.1887                 0.1086
  Dep-U Fr= 1--      0.3943                 0.3175                 0.1959
 Alpha2 Fr= 1--      0.0386                 0.1240                 0.0341
 Beta2  Fr= 1--      0.2113                 0.4689                 0.0650
 AlphaG Fr= 1--     -0.0364                -0.0368                -0.0556
 Gamma2 Fr= 1--     -0.0366                 1.1446                -1.6072
 Delta2 Fr= 1--     -0.4918                 0.3236                -0.7089
 Raman1 Fr= 1--      12.858                 35.449                  7.955
 ROA1   Fr= 1--     -19.254                120.238               -176.971
 CID1   Fr= 1--      -1.497                  3.392                -22.245
 Raman2 Fr= 1--       2.535                  5.627                  0.779
 ROA2   Fr= 1--       3.055                 24.882                -32.901
 CID2   Fr= 1--       1.205                  4.422                -42.212
 Raman3 Fr= 1--       5.071                 11.255                  1.559
 ROA3   Fr= 1--     -19.254                120.238               -176.971
 CID3   Fr= 1--      -3.797                 10.684               -113.527
 RC180  Fr= 1--      -0.211                 -0.365                 -0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.08    -0.03  -0.09   0.08    -0.00  -0.08   0.03
     2   6    -0.02   0.03   0.01     0.02  -0.01  -0.00    -0.03   0.10   0.05
     3   6     0.02  -0.06  -0.08     0.02  -0.07   0.09     0.03  -0.07   0.03
     4   6    -0.00   0.03   0.02    -0.01  -0.04  -0.02    -0.03   0.08   0.04
     5   6    -0.02   0.01   0.06     0.01   0.13  -0.06     0.03  -0.04  -0.07
     6   6    -0.01   0.02   0.06    -0.03   0.11  -0.07     0.02  -0.06  -0.07
     7   6     0.03  -0.03   0.01    -0.08   0.01  -0.02    -0.04  -0.02  -0.09
     8   6     0.01  -0.02   0.01    -0.03   0.03  -0.03     0.01  -0.02   0.03
     9   6    -0.03  -0.01   0.00     0.05   0.03   0.00    -0.03  -0.01   0.02
    10   6     0.01   0.04  -0.00    -0.02  -0.06   0.01     0.01   0.05   0.01
    11   6    -0.04   0.02  -0.02     0.13  -0.02  -0.03     0.06   0.02  -0.04
    12   6     0.05   0.01   0.02    -0.08  -0.02   0.01     0.02   0.00   0.03
    13   8    -0.01   0.01  -0.01    -0.00  -0.03   0.05    -0.01  -0.02   0.02
    14   8    -0.01  -0.01  -0.01    -0.00   0.06   0.00    -0.01   0.02  -0.01
    15   1    -0.12   0.49   0.24    -0.16   0.10   0.13    -0.11   0.17   0.15
    16   1    -0.21   0.48   0.25     0.04   0.15   0.18    -0.01   0.23   0.18
    17   1     0.06  -0.31  -0.13     0.23  -0.32  -0.25    -0.09   0.41   0.19
    18   1     0.14  -0.30  -0.13     0.03  -0.39  -0.30    -0.17   0.41   0.20
    19   1     0.08  -0.05  -0.07    -0.15   0.04   0.05     0.09  -0.02   0.09
    20   1     0.05   0.04   0.01    -0.12  -0.03  -0.02    -0.05  -0.21  -0.11
    21   1     0.00  -0.00   0.02    -0.02   0.02  -0.03     0.18  -0.10  -0.02
    22   1    -0.07  -0.01  -0.02     0.14   0.02   0.03    -0.07  -0.03  -0.09
    23   1    -0.00   0.01  -0.00     0.02  -0.02   0.00     0.18   0.03  -0.02
    24   1    -0.02   0.00  -0.01     0.02  -0.02   0.01    -0.15  -0.03  -0.11
    25   1    -0.01   0.02  -0.01     0.01  -0.05   0.02     0.00   0.10  -0.06
    26   1    -0.01   0.03  -0.00     0.02  -0.02   0.01    -0.01  -0.06  -0.01
    27   1     0.00   0.10  -0.02    -0.00  -0.13   0.03     0.01   0.10  -0.05
    28   1    -0.07   0.05   0.01     0.20  -0.05  -0.07     0.05   0.04  -0.02
    29   6    -0.02  -0.03  -0.01     0.05   0.02  -0.01     0.02  -0.05  -0.03
    30   1     0.02  -0.02   0.02    -0.04   0.15  -0.06     0.01   0.08  -0.01
    31   1     0.02  -0.02   0.02    -0.11  -0.21  -0.04    -0.08  -0.24  -0.02
    32   1     0.03   0.03   0.02    -0.09   0.01   0.02    -0.05   0.02   0.04
    33   1    -0.00  -0.13   0.00    -0.03   0.28   0.08    -0.04   0.08   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7513               935.9746               954.5925
 Red. masses --      1.5352                 1.1989                 1.5936
 Frc consts  --      0.7290                 0.6188                 0.8556
 IR Inten    --      2.4651                 1.8143                 0.5134
 RamAct Fr= 1--      2.6148                 1.2442                 4.1629
  Dep-P Fr= 1--      0.7499                 0.5474                 0.6887
  Dep-U Fr= 1--      0.8570                 0.7075                 0.8157
 Alpha2 Fr= 1--      0.0000                 0.0048                 0.0045
 Beta2  Fr= 1--      0.3735                 0.1467                 0.5659
 AlphaG Fr= 1--      0.0001                 0.0161                 0.0350
 Gamma2 Fr= 1--     -0.6015                -0.3260                -0.2632
 Delta2 Fr= 1--     -0.4858                -0.7740                 0.7459
 Raman1 Fr= 1--      10.459                  4.977                 16.652
 ROA1   Fr= 1--     -73.293                -56.061                 -1.404
 CID1   Fr= 1--      -7.008                -11.264                 -0.084
 Raman2 Fr= 1--       4.482                  1.761                  6.791
 ROA2   Fr= 1--     -10.551                 -1.631                -12.285
 CID2   Fr= 1--      -2.354                 -0.927                 -1.809
 Raman3 Fr= 1--       8.964                  3.521                 13.582
 ROA3   Fr= 1--     -73.293                -56.061                 -1.404
 CID3   Fr= 1--      -8.176                -15.922                 -0.103
 RC180  Fr= 1--       0.714                  0.415                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.03   0.08   0.03
     2   6    -0.02   0.03   0.03    -0.01   0.01   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.01   0.02     0.00  -0.01   0.01     0.01  -0.08  -0.07
     4   6    -0.01   0.01   0.02    -0.00   0.00   0.00    -0.00   0.02   0.02
     5   6     0.05   0.01  -0.03     0.01   0.00  -0.01    -0.01  -0.02   0.00
     6   6     0.02   0.01  -0.05     0.00   0.00  -0.01    -0.00   0.00  -0.00
     7   6    -0.06  -0.10   0.12    -0.02  -0.00   0.01     0.06  -0.07  -0.02
     8   6     0.01  -0.04  -0.03     0.05   0.01  -0.00    -0.08   0.06   0.01
     9   6     0.03  -0.00  -0.01    -0.04   0.03  -0.07     0.05   0.07   0.01
    10   6     0.03   0.03  -0.06     0.07   0.00   0.05    -0.05  -0.04   0.02
    11   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    12   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.02  -0.02     0.00  -0.01  -0.00     0.14  -0.45  -0.28
    16   1    -0.03   0.01   0.04     0.00   0.02   0.02    -0.20   0.47   0.26
    17   1     0.05   0.16   0.09     0.01   0.03   0.02    -0.04   0.07   0.05
    18   1    -0.01   0.13   0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    19   1    -0.11  -0.20  -0.46    -0.05   0.00   0.00     0.05  -0.09  -0.14
    20   1    -0.01   0.46   0.19    -0.03   0.02   0.01     0.15   0.03  -0.02
    21   1    -0.18   0.23   0.05    -0.21  -0.28   0.00    -0.14   0.05   0.02
    22   1     0.03   0.01   0.04     0.29   0.04   0.19     0.35   0.04   0.07
    23   1    -0.09  -0.01   0.02    -0.41  -0.22  -0.01     0.02  -0.09  -0.00
    24   1     0.13   0.02   0.08     0.02  -0.11   0.14    -0.11  -0.11   0.01
    25   1    -0.05  -0.27   0.16    -0.15  -0.07  -0.13     0.05   0.12  -0.03
    26   1    -0.03   0.35   0.02    -0.19  -0.40   0.01     0.04  -0.07  -0.00
    27   1    -0.04   0.11   0.11    -0.02   0.44  -0.21     0.01  -0.21   0.02
    28   1     0.02   0.03   0.00     0.00   0.00   0.00     0.01   0.03   0.01
    29   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
    30   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.01  -0.07   0.00    -0.00  -0.01   0.00    -0.01  -0.05  -0.00
    32   1    -0.00   0.03   0.02     0.00   0.00   0.00    -0.01   0.01   0.01
    33   1    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5708               971.7720               978.2021
 Red. masses --      1.6253                 1.4883                 1.3889
 Frc consts  --      0.8836                 0.8281                 0.7830
 IR Inten    --      0.1020                 0.0390                 0.1205
 RamAct Fr= 1--      2.8853                 2.6472                 0.5392
  Dep-P Fr= 1--      0.7108                 0.6182                 0.7240
  Dep-U Fr= 1--      0.8309                 0.7640                 0.8399
 Alpha2 Fr= 1--      0.0020                 0.0064                 0.0002
 Beta2  Fr= 1--      0.3996                 0.3371                 0.0755
 AlphaG Fr= 1--     -0.0077                 0.0167                 0.0056
 Gamma2 Fr= 1--     -1.5567                -1.0090                 0.5885
 Delta2 Fr= 1--     -0.5504                -0.1017                -0.1226
 Raman1 Fr= 1--      11.541                 10.589                  2.157
 ROA1   Fr= 1--    -167.054               -100.118                 52.572
 CID1   Fr= 1--     -14.475                 -9.455                 24.376
 Raman2 Fr= 1--       4.795                  4.045                  0.906
 ROA2   Fr= 1--     -32.957                -23.402                 15.104
 CID2   Fr= 1--      -6.873                 -5.785                 16.677
 Raman3 Fr= 1--       9.590                  8.090                  1.811
 ROA3   Fr= 1--    -167.054               -100.118                 52.572
 CID3   Fr= 1--     -17.420                -12.375                 29.023
 RC180  Fr= 1--       0.662                  0.528                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06     0.00  -0.01  -0.00    -0.01   0.00   0.01
     2   6     0.01   0.03   0.02    -0.01   0.00   0.00     0.01  -0.02  -0.01
     3   6    -0.04   0.08   0.02     0.00   0.00   0.01     0.00  -0.00   0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00   0.02   0.01
     5   6    -0.00  -0.04  -0.01     0.01  -0.01  -0.02     0.03  -0.10  -0.06
     6   6    -0.01   0.02   0.01    -0.00   0.01  -0.00    -0.03   0.10   0.05
     7   6     0.06  -0.09  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.01
     8   6    -0.08   0.06   0.01    -0.07  -0.07   0.00     0.03   0.00  -0.00
     9   6     0.04   0.09   0.02     0.12  -0.04  -0.04    -0.02  -0.02  -0.00
    10   6    -0.04  -0.03   0.02    -0.06   0.11   0.03     0.01  -0.01  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.16   0.46   0.23    -0.01   0.03   0.02     0.01  -0.06  -0.02
    16   1     0.10  -0.39  -0.24     0.02  -0.02  -0.00    -0.00   0.04   0.02
    17   1    -0.07   0.16   0.10    -0.01   0.09   0.04    -0.20   0.58   0.30
    18   1     0.03  -0.10  -0.05     0.02  -0.05  -0.04     0.18  -0.56  -0.31
    19   1     0.10  -0.12  -0.16    -0.02  -0.03  -0.03    -0.05   0.05   0.07
    20   1     0.18   0.01  -0.04    -0.03   0.00   0.01    -0.05  -0.00   0.01
    21   1    -0.13   0.04   0.02    -0.23  -0.23   0.01     0.06   0.03  -0.01
    22   1     0.40   0.04   0.05    -0.19   0.04   0.12    -0.10  -0.01  -0.03
    23   1     0.06  -0.10  -0.01    -0.17   0.09   0.05    -0.00   0.02  -0.00
    24   1    -0.19  -0.15  -0.02     0.51   0.22   0.18    -0.00   0.02  -0.01
    25   1     0.04   0.10  -0.03     0.14   0.52  -0.17    -0.02  -0.08   0.03
    26   1     0.02  -0.08  -0.00     0.11  -0.13  -0.05    -0.01   0.03   0.01
    27   1     0.01  -0.17   0.01     0.07  -0.18  -0.11    -0.01   0.03   0.01
    28   1     0.00   0.00   0.01     0.00   0.01   0.01     0.01   0.05   0.03
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.01   0.00    -0.01  -0.05   0.00
    32   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    33   1     0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7985              1046.2099              1084.0010
 Red. masses --      1.9238                 2.8154                 2.1082
 Frc consts  --      1.1673                 1.8156                 1.4596
 IR Inten    --      2.6223                 4.1554                64.6854
 RamAct Fr= 1--     10.6206                 0.0375                 2.3403
  Dep-P Fr= 1--      0.2832                 0.5729                 0.6768
  Dep-U Fr= 1--      0.4414                 0.7284                 0.8072
 Alpha2 Fr= 1--      0.1145                 0.0001                 0.0030
 Beta2  Fr= 1--      0.7812                 0.0046                 0.3149
 AlphaG Fr= 1--      0.0173                 0.0005                 0.0182
 Gamma2 Fr= 1--     -0.3568                -0.1465                -1.4221
 Delta2 Fr= 1--     -1.5169                 0.1268                 0.3673
 Raman1 Fr= 1--      42.483                  0.150                  9.361
 ROA1   Fr= 1--     -82.798                -10.009               -124.766
 CID1   Fr= 1--      -1.949                -66.703                -13.328
 Raman2 Fr= 1--       9.375                  0.055                  3.778
 ROA2   Fr= 1--       3.571                 -4.531                -37.069
 CID2   Fr= 1--       0.381                -82.902                 -9.811
 Raman3 Fr= 1--      18.750                  0.109                  7.557
 ROA3   Fr= 1--     -82.798                -10.009               -124.766
 CID3   Fr= 1--      -4.416                -91.570                -16.511
 RC180  Fr= 1--      -0.117                  0.457                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.05   0.11  -0.17    -0.05  -0.03   0.02
     2   6     0.00   0.01  -0.01    -0.03  -0.01  -0.00     0.00   0.01  -0.04
     3   6     0.00  -0.02   0.01     0.01  -0.09   0.17     0.02  -0.02   0.05
     4   6    -0.07   0.02  -0.03    -0.04  -0.01  -0.00     0.05   0.02  -0.03
     5   6     0.01  -0.04   0.02     0.05   0.11  -0.17    -0.02  -0.00   0.00
     6   6     0.04  -0.01   0.07     0.00  -0.09   0.17     0.01  -0.01   0.03
     7   6    -0.01  -0.00  -0.00     0.01   0.00   0.01     0.02   0.01  -0.03
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.02  -0.01   0.03
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.02
    11   6    -0.04  -0.11  -0.14     0.01   0.00   0.03     0.05   0.18  -0.08
    12   6     0.06   0.01   0.06    -0.01   0.00  -0.00    -0.04   0.07   0.03
    13   8    -0.03  -0.02   0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    14   8    -0.02   0.03  -0.00     0.00  -0.00   0.00     0.02  -0.10   0.02
    15   1     0.01   0.01  -0.06    -0.20   0.14  -0.37    -0.19  -0.01  -0.08
    16   1     0.00   0.05   0.04    -0.29  -0.24   0.24     0.08  -0.01   0.03
    17   1    -0.02   0.10   0.12    -0.19   0.14  -0.36    -0.17  -0.00  -0.14
    18   1     0.13  -0.04   0.02    -0.30  -0.24   0.25     0.05   0.01   0.02
    19   1     0.02  -0.01  -0.01     0.00   0.01   0.01     0.22  -0.03   0.01
    20   1    -0.04   0.01   0.01     0.09  -0.01  -0.01    -0.20  -0.02   0.01
    21   1    -0.03   0.01   0.01     0.02  -0.01  -0.01    -0.13   0.08   0.07
    22   1     0.01   0.00   0.01    -0.00  -0.00  -0.01     0.05   0.02   0.04
    23   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.02   0.00
    24   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.04  -0.01   0.04
    25   1    -0.00  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.08   0.05
    26   1    -0.00   0.02   0.00     0.00  -0.02  -0.00    -0.01   0.11   0.00
    27   1    -0.00   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.02   0.04
    28   1    -0.24  -0.50  -0.33     0.06   0.08   0.06     0.15  -0.10  -0.28
    29   6     0.08   0.10   0.07     0.01  -0.01  -0.02    -0.05  -0.10   0.08
    30   1    -0.01   0.07  -0.01    -0.00  -0.01   0.00     0.01   0.27  -0.12
    31   1    -0.11   0.19  -0.12    -0.01  -0.09   0.01     0.03   0.33  -0.06
    32   1    -0.13  -0.23  -0.10    -0.00   0.07   0.03     0.02  -0.48  -0.18
    33   1     0.03   0.54  -0.07    -0.01  -0.01   0.04     0.04  -0.12  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.2443              1106.9971              1138.3399
 Red. masses --      1.5699                 1.8126                 2.1664
 Frc consts  --      1.1136                 1.3087                 1.6540
 IR Inten    --     13.5013                30.6344                 2.9823
 RamAct Fr= 1--      2.1789                 5.0926                20.8632
  Dep-P Fr= 1--      0.5258                 0.1257                 0.3530
  Dep-U Fr= 1--      0.6892                 0.2233                 0.5218
 Alpha2 Fr= 1--      0.0095                 0.0837                 0.1814
 Beta2  Fr= 1--      0.2503                 0.1895                 1.8144
 AlphaG Fr= 1--     -0.0100                 0.0710                -0.0716
 Gamma2 Fr= 1--      1.6264                -0.7545                 1.5376
 Delta2 Fr= 1--      1.6010                 0.8410                 0.9140
 Raman1 Fr= 1--       8.715                 20.371                 83.453
 ROA1   Fr= 1--     207.367                -45.524                176.857
 CID1   Fr= 1--      23.793                 -2.235                  2.119
 Raman2 Fr= 1--       3.003                  2.274                 21.773
 ROA2   Fr= 1--      26.226                -24.836                 29.590
 CID2   Fr= 1--       8.732                -10.920                  1.359
 Raman3 Fr= 1--       6.007                  4.549                 43.546
 ROA3   Fr= 1--     207.367                -45.524                176.857
 CID3   Fr= 1--      34.522                -10.007                  4.061
 RC180  Fr= 1--       0.378                 -0.553                  0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02     0.02   0.02  -0.03    -0.03  -0.03   0.00
     2   6    -0.02  -0.02   0.04    -0.01  -0.01   0.05    -0.03   0.05   0.00
     3   6    -0.01  -0.00  -0.02    -0.03   0.01  -0.02     0.03  -0.01   0.03
     4   6     0.03   0.02   0.06    -0.03  -0.04  -0.01     0.02   0.02  -0.01
     5   6     0.03   0.01  -0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
     6   6    -0.02   0.02  -0.05     0.01   0.01  -0.03     0.02  -0.01   0.00
     7   6    -0.00  -0.02   0.04    -0.02  -0.03   0.07     0.04  -0.09  -0.05
     8   6     0.03   0.02  -0.05     0.04   0.04  -0.07     0.14   0.17   0.07
     9   6    -0.02  -0.01   0.02    -0.02  -0.02   0.02    -0.06  -0.06  -0.10
    10   6    -0.01  -0.01   0.03    -0.02  -0.01   0.05    -0.07  -0.07   0.04
    11   6     0.06  -0.06  -0.08    -0.03   0.13   0.00    -0.00  -0.00   0.00
    12   6     0.02  -0.00   0.02    -0.03   0.06   0.01     0.01  -0.03  -0.01
    13   8    -0.02  -0.02   0.03     0.01   0.02  -0.03    -0.00  -0.00   0.01
    14   8    -0.01   0.01   0.00     0.01  -0.07   0.01    -0.00   0.03  -0.01
    15   1     0.04   0.01   0.02     0.08   0.02   0.01    -0.18   0.04  -0.07
    16   1    -0.17  -0.03   0.04    -0.12  -0.07  -0.02     0.16   0.06   0.00
    17   1     0.08   0.06   0.05     0.18  -0.04   0.12    -0.14   0.01  -0.10
    18   1    -0.12  -0.01  -0.02     0.02   0.04  -0.02     0.15   0.12   0.00
    19   1    -0.27   0.03  -0.02    -0.42   0.04  -0.05    -0.21  -0.02  -0.04
    20   1     0.28   0.04   0.00     0.38   0.07   0.01    -0.10   0.08   0.00
    21   1     0.17  -0.07  -0.09     0.24  -0.08  -0.12     0.13   0.46   0.12
    22   1    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07    -0.24   0.01   0.10
    23   1     0.07   0.03  -0.00     0.09   0.04  -0.00    -0.41   0.01   0.00
    24   1    -0.05   0.01  -0.05    -0.06   0.02  -0.07     0.20   0.07   0.09
    25   1     0.01   0.11  -0.06     0.02   0.15  -0.08     0.09   0.11   0.02
    26   1     0.02  -0.15  -0.00     0.03  -0.22  -0.00     0.09  -0.14   0.00
    27   1     0.02  -0.05  -0.05     0.03  -0.07  -0.08     0.01  -0.30   0.04
    28   1     0.33  -0.18  -0.22    -0.11   0.04  -0.03    -0.08   0.02   0.04
    29   6    -0.10   0.05   0.03     0.07  -0.08   0.02    -0.01   0.00   0.00
    30   1    -0.00   0.10  -0.03     0.00   0.13  -0.07     0.00  -0.09   0.04
    31   1     0.18   0.42   0.09    -0.16  -0.19  -0.13     0.01   0.02   0.01
    32   1     0.21   0.02  -0.05    -0.18  -0.25  -0.04     0.01   0.00  -0.00
    33   1     0.04  -0.37  -0.15    -0.01   0.31   0.01     0.00  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.3705              1161.5098              1193.8617
 Red. masses --      1.5710                 2.0470                 1.7705
 Frc consts  --      1.2207                 1.6271                 1.4868
 IR Inten    --     51.5400               152.8042                 9.1549
 RamAct Fr= 1--      1.9019                 1.5180                 3.1358
  Dep-P Fr= 1--      0.4216                 0.6966                 0.6070
  Dep-U Fr= 1--      0.5932                 0.8211                 0.7554
 Alpha2 Fr= 1--      0.0130                 0.0014                 0.0083
 Beta2  Fr= 1--      0.1880                 0.2078                 0.3948
 AlphaG Fr= 1--     -0.0103                 0.0084                -0.0074
 Gamma2 Fr= 1--     -1.7610                -1.5452                 1.8587
 Delta2 Fr= 1--     -0.9670                -0.4066                -0.3560
 Raman1 Fr= 1--       7.608                  6.072                 12.543
 ROA1   Fr= 1--    -200.005               -161.349                167.042
 CID1   Fr= 1--     -26.290                -26.572                 13.317
 Raman2 Fr= 1--       2.256                  2.493                  4.738
 ROA2   Fr= 1--     -34.529                -33.832                 47.457
 CID2   Fr= 1--     -15.303                -13.570                 10.017
 Raman3 Fr= 1--       4.513                  4.986                  9.476
 ROA3   Fr= 1--    -200.005               -161.349                167.042
 CID3   Fr= 1--     -44.320                -32.360                 17.629
 RC180  Fr= 1--       0.186                  0.642                  0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.02   0.01    -0.03  -0.00  -0.01     0.00  -0.00   0.00
     2   6    -0.01   0.00   0.01     0.01   0.00  -0.00     0.01   0.00  -0.01
     3   6    -0.05   0.00  -0.04     0.04   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.04  -0.02   0.02    -0.05  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05   0.02  -0.01    -0.05  -0.02  -0.01    -0.00  -0.00   0.00
     6   6    -0.05  -0.01  -0.01     0.05   0.00   0.02    -0.00  -0.00   0.01
     7   6     0.02  -0.00  -0.07    -0.01  -0.01   0.02    -0.03   0.02   0.05
     8   6     0.02   0.03   0.07     0.00   0.00  -0.02     0.15  -0.12   0.01
     9   6    -0.01  -0.01  -0.05    -0.00  -0.00   0.01    -0.06   0.09  -0.04
    10   6    -0.01  -0.02  -0.02    -0.00   0.00   0.01    -0.10   0.04  -0.04
    11   6    -0.00  -0.02   0.00     0.00  -0.12   0.05     0.00  -0.00   0.00
    12   6    -0.02   0.08   0.03    -0.05   0.15   0.05    -0.00   0.00   0.00
    13   8     0.01   0.01  -0.02     0.02   0.02  -0.05     0.00   0.00  -0.00
    14   8     0.00  -0.07   0.02     0.01  -0.12   0.05     0.00  -0.00   0.00
    15   1     0.42  -0.01   0.29    -0.18   0.01  -0.13     0.02  -0.00   0.02
    16   1    -0.29  -0.10   0.02     0.34   0.18  -0.07    -0.01  -0.00   0.00
    17   1     0.30   0.01   0.19    -0.24   0.01  -0.14    -0.02  -0.00  -0.01
    18   1    -0.35  -0.14   0.06     0.30   0.12  -0.03    -0.01  -0.02   0.01
    19   1     0.14  -0.00   0.05    -0.05  -0.00  -0.02     0.04  -0.00   0.01
    20   1    -0.21  -0.06  -0.04     0.05   0.02   0.01    -0.23   0.11   0.10
    21   1    -0.07   0.18   0.11     0.02  -0.02  -0.02     0.34  -0.27  -0.05
    22   1    -0.03   0.02   0.08    -0.01  -0.01  -0.02     0.34   0.04   0.06
    23   1    -0.19  -0.02   0.00     0.03   0.01   0.00    -0.18  -0.25  -0.06
    24   1     0.11   0.01   0.07    -0.01   0.00  -0.01    -0.23  -0.21   0.05
    25   1     0.02  -0.06   0.06    -0.00   0.02  -0.01     0.18   0.29   0.04
    26   1     0.02   0.10   0.00    -0.00  -0.04   0.00     0.23   0.21  -0.06
    27   1    -0.01  -0.06   0.07     0.00   0.00  -0.02     0.01  -0.35   0.05
    28   1     0.18  -0.07  -0.07     0.30  -0.17  -0.06     0.00  -0.00  -0.00
    29   6     0.01   0.01  -0.02     0.01   0.06  -0.07     0.00   0.00  -0.00
    30   1    -0.01   0.22  -0.09    -0.03   0.43  -0.19    -0.00   0.01  -0.00
    31   1    -0.01  -0.06   0.00     0.04  -0.18   0.06     0.00  -0.00   0.00
    32   1    -0.00   0.08   0.03     0.04   0.32   0.09    -0.00   0.00   0.00
    33   1    -0.01   0.01   0.04    -0.03  -0.07   0.14    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.9091              1221.8476              1236.4767
 Red. masses --      1.2765                 2.1191                 2.3417
 Frc consts  --      1.1046                 1.8640                 2.1094
 IR Inten    --      3.1718                10.3187                 1.3854
 RamAct Fr= 1--     40.1378                33.3501                32.8740
  Dep-P Fr= 1--      0.0831                 0.1476                 0.1223
  Dep-U Fr= 1--      0.1534                 0.2572                 0.2179
 Alpha2 Fr= 1--      0.7324                 0.5187                 0.5448
 Beta2  Fr= 1--      1.0260                 1.4299                 1.1937
 AlphaG Fr= 1--     -0.0189                -0.0315                -0.1193
 Gamma2 Fr= 1--      0.7205                 0.7597                -1.3292
 Delta2 Fr= 1--      0.3872                -0.0808                 0.1482
 Raman1 Fr= 1--     160.551                133.400                131.496
 ROA1   Fr= 1--      81.559                 70.350               -122.864
 CID1   Fr= 1--       0.508                  0.527                 -0.934
 Raman2 Fr= 1--      12.311                 17.158                 14.325
 ROA2   Fr= 1--      14.195                 18.880                -33.087
 CID2   Fr= 1--       1.153                  1.100                 -2.310
 Raman3 Fr= 1--      24.623                 34.316                 28.650
 ROA3   Fr= 1--      81.559                 70.350               -122.864
 CID3   Fr= 1--       3.312                  2.050                 -4.288
 RC180  Fr= 1--      -0.693                 -0.486                 -0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.04    -0.08  -0.03   0.02     0.05  -0.00   0.03
     2   6     0.04   0.01   0.01    -0.04  -0.01  -0.02     0.27   0.08   0.05
     3   6     0.02   0.03  -0.04     0.06   0.00   0.03    -0.07   0.01  -0.06
     4   6    -0.10  -0.03  -0.01     0.21   0.06   0.02     0.04   0.02  -0.01
     5   6     0.01  -0.02   0.03     0.08   0.01   0.04    -0.07  -0.05   0.04
     6   6    -0.01  -0.02   0.04    -0.10  -0.01  -0.04     0.03   0.00   0.01
     7   6    -0.02  -0.00  -0.01     0.02   0.01   0.02    -0.09  -0.04  -0.03
     8   6     0.00   0.00   0.00     0.00   0.00  -0.02     0.00   0.01  -0.06
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.01  -0.01   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.03
    11   6     0.04   0.02   0.01    -0.08  -0.05  -0.01     0.01  -0.01   0.00
    12   6     0.00  -0.01  -0.00    -0.01   0.03   0.00    -0.01   0.00  -0.00
    13   8    -0.00  -0.00   0.01     0.01   0.01  -0.03     0.00   0.00  -0.00
    14   8     0.00   0.01  -0.01    -0.00  -0.04   0.02    -0.00  -0.01   0.01
    15   1    -0.29   0.06  -0.27    -0.40  -0.00  -0.23    -0.16   0.03  -0.14
    16   1     0.48   0.25  -0.16     0.04  -0.01   0.05    -0.39  -0.14   0.02
    17   1     0.37  -0.05   0.32     0.21   0.00   0.13    -0.30  -0.03  -0.14
    18   1    -0.36  -0.19   0.13    -0.48  -0.18   0.04    -0.29  -0.15   0.11
    19   1    -0.04  -0.00  -0.01     0.08  -0.02  -0.03    -0.23  -0.02  -0.05
    20   1    -0.06  -0.01  -0.00     0.02   0.01   0.02    -0.54   0.09   0.06
    21   1    -0.00   0.01   0.00     0.01   0.02  -0.01    -0.06   0.08  -0.04
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.05  -0.02  -0.06
    23   1    -0.01  -0.00  -0.00     0.02   0.00  -0.00     0.07   0.04   0.01
    24   1     0.01   0.00   0.00    -0.02  -0.00  -0.01    -0.02   0.03  -0.05
    25   1     0.00   0.00   0.00    -0.00   0.03  -0.02    -0.03   0.05  -0.05
    26   1     0.00   0.00  -0.00     0.00  -0.04   0.00    -0.01  -0.12   0.01
    27   1    -0.00  -0.00   0.00     0.01  -0.01  -0.02     0.02   0.02  -0.07
    28   1     0.21   0.08   0.00    -0.48  -0.21  -0.01    -0.13  -0.05   0.01
    29   6    -0.01  -0.01   0.01     0.02   0.03  -0.03    -0.01   0.01  -0.01
    30   1     0.01  -0.06   0.03    -0.02   0.19  -0.08    -0.01   0.07  -0.03
    31   1     0.01   0.05   0.00    -0.03  -0.11  -0.01     0.01  -0.01   0.02
    32   1     0.03  -0.03  -0.01    -0.05   0.09   0.03     0.01   0.02  -0.00
    33   1     0.00  -0.00  -0.03    -0.01   0.02   0.06    -0.00  -0.04   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7581              1280.3344              1309.5302
 Red. masses --      1.6085                 1.7853                 1.6109
 Frc consts  --      1.4779                 1.7242                 1.6276
 IR Inten    --      1.1141                 3.0147                 4.5494
 RamAct Fr= 1--      5.9818                 4.4787                 3.5798
  Dep-P Fr= 1--      0.5188                 0.6430                 0.7006
  Dep-U Fr= 1--      0.6832                 0.7827                 0.8239
 Alpha2 Fr= 1--      0.0270                 0.0086                 0.0031
 Beta2  Fr= 1--      0.6811                 0.5843                 0.4916
 AlphaG Fr= 1--      0.0033                 0.0166                 0.0013
 Gamma2 Fr= 1--      2.6630                 2.2983                -4.0866
 Delta2 Fr= 1--     -0.2368                 1.2900                -0.8004
 Raman1 Fr= 1--      23.927                 17.915                 14.319
 ROA1   Fr= 1--     248.068                261.913               -417.921
 CID1   Fr= 1--      10.368                 14.620                -29.186
 Raman2 Fr= 1--       8.173                  7.011                  5.899
 ROA2   Fr= 1--      65.805                 44.839                -91.675
 CID2   Fr= 1--       8.052                  6.395                -15.540
 Raman3 Fr= 1--      16.346                 14.022                 11.798
 ROA3   Fr= 1--     248.068                261.913               -417.921
 CID3   Fr= 1--      15.176                 18.678                -35.422
 RC180  Fr= 1--       0.366                  0.565                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.04  -0.00  -0.02    -0.03   0.00  -0.03
     2   6    -0.05   0.01  -0.09     0.01  -0.01   0.02     0.00  -0.02   0.03
     3   6    -0.01  -0.02   0.03     0.03   0.03  -0.03     0.03   0.02  -0.02
     4   6    -0.04   0.01  -0.04     0.07  -0.05   0.11     0.01  -0.04   0.09
     5   6     0.03   0.01   0.01    -0.00   0.02  -0.03    -0.02   0.01  -0.03
     6   6    -0.03  -0.02   0.03     0.01   0.02  -0.03     0.03   0.02  -0.02
     7   6     0.01  -0.01   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
     8   6     0.02   0.03  -0.14     0.00   0.00  -0.02    -0.00  -0.00  -0.00
     9   6    -0.01  -0.01   0.04    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.01  -0.00   0.09    -0.00   0.00   0.01     0.00   0.00   0.01
    11   6     0.02  -0.00   0.01    -0.16   0.01  -0.01    -0.05  -0.06  -0.06
    12   6    -0.00  -0.00  -0.00     0.02   0.06   0.04     0.05  -0.11  -0.03
    13   8     0.00   0.00   0.00    -0.02  -0.04   0.03     0.01   0.05  -0.03
    14   8     0.00   0.00   0.00     0.02   0.01  -0.04    -0.03   0.00   0.05
    15   1     0.19  -0.04   0.16     0.04  -0.02   0.05     0.08  -0.01   0.06
    16   1     0.11   0.04  -0.00     0.10   0.05  -0.05     0.09   0.06  -0.04
    17   1     0.05   0.00   0.03    -0.22   0.04  -0.21    -0.12   0.02  -0.11
    18   1     0.01  -0.02   0.02    -0.20  -0.08   0.02    -0.12  -0.05   0.02
    19   1     0.53  -0.16  -0.17     0.11  -0.03  -0.02     0.11  -0.03  -0.02
    20   1    -0.37   0.21   0.15    -0.14   0.02   0.02    -0.04  -0.01   0.00
    21   1     0.05   0.27  -0.11     0.00   0.07  -0.01     0.06   0.06  -0.01
    22   1    -0.03  -0.04  -0.12    -0.00  -0.00  -0.02     0.01   0.00   0.00
    23   1     0.13   0.04   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.00
    24   1    -0.08   0.04  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    25   1    -0.04   0.16  -0.13    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    26   1     0.01  -0.32   0.01    -0.00  -0.04   0.00    -0.01  -0.02   0.00
    27   1     0.05  -0.03  -0.17     0.01  -0.00  -0.02     0.00   0.00  -0.01
    28   1     0.02   0.02   0.02     0.62  -0.01  -0.22     0.06   0.54   0.29
    29   6    -0.01  -0.00  -0.00     0.06  -0.00   0.01     0.02  -0.01   0.06
    30   1     0.00   0.00   0.00     0.03  -0.45   0.15    -0.07   0.59  -0.21
    31   1     0.02   0.01   0.01    -0.11  -0.09  -0.09    -0.06   0.14  -0.07
    32   1     0.02   0.01   0.00    -0.14  -0.07   0.01    -0.04  -0.15  -0.02
    33   1    -0.00  -0.02  -0.00     0.01   0.14   0.05     0.03   0.15  -0.08
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.7577              1349.4221              1363.5528
 Red. masses --      1.3452                 2.1929                 1.5531
 Frc consts  --      1.3784                 2.3527                 1.7014
 IR Inten    --      1.2367                 1.0689                 1.1628
 RamAct Fr= 1--     20.5099                 3.0477                 6.8534
  Dep-P Fr= 1--      0.2851                 0.6220                 0.6337
  Dep-U Fr= 1--      0.4438                 0.7670                 0.7758
 Alpha2 Fr= 1--      0.2198                 0.0071                 0.0145
 Beta2  Fr= 1--      1.5169                 0.3896                 0.8862
 AlphaG Fr= 1--      0.0526                -0.0309                -0.0267
 Gamma2 Fr= 1--      2.0688                -6.3616                 4.6733
 Delta2 Fr= 1--     -0.5567                -2.7500                 2.1305
 Raman1 Fr= 1--      82.040                 12.191                 27.414
 ROA1   Fr= 1--     180.787               -698.715                516.815
 CID1   Fr= 1--       2.204                -57.316                 18.852
 Raman2 Fr= 1--      18.203                  4.675                 10.634
 ROA2   Fr= 1--      54.104               -130.679                 95.115
 CID2   Fr= 1--       2.972                -27.952                  8.945
 Raman3 Fr= 1--      36.406                  9.350                 21.268
 ROA3   Fr= 1--     180.787               -698.715                516.815
 CID3   Fr= 1--       4.966                -74.728                 24.300
 RC180  Fr= 1--      -0.112                  0.534                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.06   0.01  -0.06     0.08  -0.01   0.06
     2   6     0.05  -0.03   0.02    -0.03  -0.10   0.16     0.01  -0.00   0.00
     3   6    -0.00   0.01  -0.01     0.12   0.06  -0.03    -0.03  -0.01  -0.01
     4   6    -0.00  -0.00   0.00    -0.02  -0.04   0.06     0.03   0.06  -0.09
     5   6    -0.02  -0.01   0.00    -0.10   0.01  -0.08     0.03  -0.00   0.02
     6   6     0.02   0.01  -0.00     0.07   0.04  -0.02    -0.09  -0.03   0.01
     7   6    -0.12   0.02   0.03     0.00   0.04  -0.04    -0.04   0.03  -0.02
     8   6    -0.06   0.01   0.04     0.05  -0.06  -0.03     0.05  -0.05  -0.01
     9   6     0.01  -0.01  -0.07    -0.01   0.01   0.02    -0.01   0.01   0.01
    10   6     0.01   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.01
    11   6     0.01   0.01   0.01     0.03   0.03   0.01    -0.06  -0.06  -0.02
    12   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.07   0.00  -0.07    -0.14   0.01  -0.12    -0.32   0.03  -0.25
    16   1    -0.10  -0.04   0.01    -0.32  -0.16   0.08    -0.24  -0.10   0.04
    17   1    -0.00  -0.01   0.02     0.32  -0.03   0.25     0.15  -0.01   0.11
    18   1     0.00  -0.02  -0.01     0.21   0.10  -0.06     0.32   0.15  -0.10
    19   1     0.50  -0.16  -0.19     0.18   0.01   0.05     0.05   0.00  -0.02
    20   1     0.33  -0.16  -0.08    -0.24  -0.06  -0.01     0.17  -0.13  -0.08
    21   1     0.60   0.18  -0.06    -0.30   0.41   0.11    -0.24   0.27   0.10
    22   1     0.04   0.03   0.12     0.03  -0.01  -0.07     0.02  -0.01  -0.03
    23   1    -0.14   0.00  -0.02     0.04  -0.05  -0.00     0.04  -0.04  -0.01
    24   1     0.16   0.02   0.09    -0.07  -0.02  -0.02    -0.02  -0.02   0.01
    25   1    -0.04  -0.03  -0.01     0.00   0.08  -0.04     0.01   0.03   0.01
    26   1    -0.05  -0.08   0.01     0.05  -0.07   0.00     0.06  -0.04  -0.01
    27   1     0.01   0.01   0.01     0.02   0.00  -0.09     0.01  -0.02  -0.05
    28   1    -0.05  -0.07  -0.03    -0.22  -0.19  -0.06     0.43   0.35   0.11
    29   6    -0.00   0.00  -0.01    -0.01  -0.01  -0.01     0.02  -0.00   0.03
    30   1     0.01  -0.04   0.02     0.00  -0.01   0.01    -0.00  -0.02   0.00
    31   1     0.01  -0.01   0.01     0.02  -0.01   0.02    -0.05   0.06  -0.06
    32   1     0.01   0.02   0.00     0.04   0.05   0.01    -0.05  -0.05   0.01
    33   1    -0.00  -0.02   0.01    -0.01  -0.01  -0.00     0.02   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.1878              1374.6008              1392.5982
 Red. masses --      1.4803                 1.3010                 1.9967
 Frc consts  --      1.6422                 1.4483                 2.2814
 IR Inten    --      0.7810                 3.4318                45.6123
 RamAct Fr= 1--      5.4371                13.9721                 5.0899
  Dep-P Fr= 1--      0.2539                 0.5195                 0.7395
  Dep-U Fr= 1--      0.4050                 0.6838                 0.8502
 Alpha2 Fr= 1--      0.0637                 0.0628                 0.0009
 Beta2  Fr= 1--      0.3670                 1.5923                 0.7213
 AlphaG Fr= 1--     -0.1507                -0.0829                 0.0111
 Gamma2 Fr= 1--     -2.8605                -0.2234                 1.8442
 Delta2 Fr= 1--     -0.0960                 1.8099                -1.5051
 Raman1 Fr= 1--      21.748                 55.889                 20.360
 ROA1   Fr= 1--    -277.683                 36.474                128.881
 CID1   Fr= 1--     -12.768                  0.653                  6.330
 Raman2 Fr= 1--       4.404                 19.107                  8.655
 ROA2   Fr= 1--     -67.884                -19.840                 56.301
 CID2   Fr= 1--     -15.415                 -1.038                  6.505
 Raman3 Fr= 1--       8.808                 38.214                 17.310
 ROA3   Fr= 1--    -277.683                 36.474                128.881
 CID3   Fr= 1--     -31.528                  0.954                  7.445
 RC180  Fr= 1--      -0.190                  0.368                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00    -0.00   0.01  -0.01    -0.03  -0.00  -0.02
     2   6    -0.03   0.01   0.00     0.01   0.03  -0.04    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.01    -0.04  -0.02   0.01     0.02   0.00   0.00
     4   6     0.00   0.01  -0.02    -0.01  -0.02   0.02    -0.01   0.00   0.02
     5   6     0.01   0.00  -0.00     0.03  -0.00   0.02    -0.01  -0.01   0.00
     6   6    -0.02  -0.01   0.00     0.01   0.01  -0.01     0.03   0.01  -0.01
     7   6     0.11  -0.01  -0.01    -0.04   0.03  -0.01    -0.00   0.00   0.00
     8   6    -0.12  -0.10  -0.00     0.04  -0.11  -0.01     0.00  -0.00  -0.00
     9   6     0.01   0.03  -0.04    -0.02   0.02   0.00    -0.00   0.00   0.00
    10   6     0.04  -0.01   0.03    -0.01   0.01   0.03    -0.00  -0.00   0.00
    11   6    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.08  -0.11  -0.10
    12   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.11   0.18   0.05
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.03  -0.03
    15   1    -0.04   0.02  -0.02     0.18  -0.02   0.12     0.08  -0.02   0.07
    16   1    -0.03  -0.01   0.01     0.22   0.11  -0.06     0.01   0.02   0.02
    17   1     0.06  -0.00   0.04    -0.21   0.02  -0.16    -0.03   0.00  -0.00
    18   1     0.07   0.04  -0.01    -0.19  -0.09   0.04    -0.11  -0.06   0.03
    19   1    -0.40   0.14   0.16    -0.16   0.05  -0.01    -0.01   0.00  -0.00
    20   1    -0.29   0.13   0.08     0.36  -0.21  -0.12     0.03  -0.01  -0.01
    21   1     0.55   0.42  -0.05    -0.25   0.58   0.17    -0.02   0.02   0.01
    22   1     0.11   0.04   0.08     0.07  -0.00  -0.02     0.01  -0.00  -0.00
    23   1    -0.03  -0.06  -0.04     0.07  -0.10  -0.03     0.01  -0.00  -0.00
    24   1     0.07  -0.05   0.10    -0.00  -0.04   0.07     0.00   0.00   0.01
    25   1    -0.04   0.11  -0.15     0.02   0.10  -0.03     0.01   0.02  -0.01
    26   1    -0.09   0.06   0.06     0.06  -0.04   0.01     0.01   0.01   0.00
    27   1    -0.01   0.20  -0.07     0.01   0.05  -0.09    -0.00   0.01  -0.01
    28   1     0.06   0.06   0.02    -0.14  -0.13  -0.05    -0.36   0.54   0.40
    29   6     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.03   0.06
    30   1     0.00  -0.01   0.00    -0.00   0.02  -0.01     0.04  -0.42   0.14
    31   1    -0.01   0.01  -0.01     0.01  -0.04   0.02    -0.07   0.00   0.00
    32   1    -0.01  -0.00   0.00     0.01   0.00  -0.01     0.11  -0.17  -0.09
    33   1     0.00   0.01  -0.01    -0.01  -0.04   0.02     0.07  -0.02  -0.18
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4847              1415.9926              1423.2318
 Red. masses --      1.2586                 1.2214                 1.2349
 Frc consts  --      1.4607                 1.4429                 1.4737
 IR Inten    --      5.1203                11.0293                 6.5144
 RamAct Fr= 1--      0.1523                 0.8950                 1.0002
  Dep-P Fr= 1--      0.3269                 0.6201                 0.5583
  Dep-U Fr= 1--      0.4927                 0.7655                 0.7166
 Alpha2 Fr= 1--      0.0014                 0.0021                 0.0036
 Beta2  Fr= 1--      0.0125                 0.1142                 0.1195
 AlphaG Fr= 1--     -0.0034                 0.0049                -0.0029
 Gamma2 Fr= 1--      0.0174                 0.0800                 0.0253
 Delta2 Fr= 1--      0.0113                 0.0757                 0.1477
 Raman1 Fr= 1--       0.609                  3.580                  4.001
 ROA1   Fr= 1--       2.037                 10.105                  7.156
 CID1   Fr= 1--       3.342                  2.823                  1.789
 Raman2 Fr= 1--       0.150                  1.370                  1.433
 ROA2   Fr= 1--       0.328                  1.315                 -0.575
 CID2   Fr= 1--       2.182                  0.960                 -0.401
 Raman3 Fr= 1--       0.300                  2.741                  2.867
 ROA3   Fr= 1--       2.037                 10.105                  7.156
 CID3   Fr= 1--       6.783                  3.687                  2.496
 RC180  Fr= 1--      -0.015                  0.531                  0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.02   0.00   0.00
     8   6     0.02   0.03  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.10  -0.04  -0.01    -0.00   0.00  -0.00     0.09   0.02   0.02
    10   6    -0.02  -0.09   0.01     0.00   0.00  -0.00    -0.01  -0.10   0.02
    11   6    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.03  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.00  -0.00     0.02  -0.01   0.02    -0.00  -0.00  -0.00
    16   1    -0.01  -0.01   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    17   1     0.01  -0.00   0.01    -0.03  -0.01  -0.02    -0.01   0.00  -0.01
    18   1     0.01   0.00  -0.00    -0.04  -0.02   0.01     0.00  -0.00  -0.00
    19   1     0.07  -0.03  -0.01    -0.02   0.00  -0.01     0.10  -0.02   0.01
    20   1     0.01   0.02   0.00     0.02  -0.01  -0.00     0.07   0.02  -0.01
    21   1    -0.05  -0.09  -0.01    -0.00   0.01   0.00    -0.02  -0.02  -0.01
    22   1     0.39  -0.07   0.12     0.00  -0.00   0.00    -0.36   0.05  -0.11
    23   1     0.39   0.18  -0.09     0.01  -0.00  -0.00    -0.37  -0.10   0.10
    24   1     0.30   0.25   0.15     0.00  -0.00   0.01    -0.27  -0.18  -0.20
    25   1     0.17   0.29  -0.14    -0.00  -0.00   0.00     0.16   0.33  -0.21
    26   1     0.11   0.36   0.07    -0.00  -0.01  -0.00     0.07   0.41   0.10
    27   1    -0.11   0.34  -0.11     0.00  -0.01   0.00    -0.12   0.37  -0.13
    28   1     0.01  -0.01  -0.01    -0.04   0.03   0.02     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00   0.01  -0.00     0.01  -0.05   0.02     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00     0.22   0.54  -0.11     0.00   0.01  -0.00
    32   1    -0.00   0.00   0.00     0.09   0.47   0.32     0.00   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.14   0.52   0.04    -0.00   0.01   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1315              1485.4457              1490.0566
 Red. masses --      2.4817                 1.0759                 1.0464
 Frc consts  --      3.1173                 1.3987                 1.3689
 IR Inten    --      8.7795                 0.4975                 1.5185
 RamAct Fr= 1--      0.4863                 1.6894                13.9606
  Dep-P Fr= 1--      0.6823                 0.6433                 0.7227
  Dep-U Fr= 1--      0.8111                 0.7829                 0.8390
 Alpha2 Fr= 1--      0.0006                 0.0033                 0.0065
 Beta2  Fr= 1--      0.0657                 0.2205                 1.9523
 AlphaG Fr= 1--     -0.0160                -0.0331                 0.0080
 Gamma2 Fr= 1--      2.0379                -1.3623                -2.5091
 Delta2 Fr= 1--     -0.9795                 0.3316                 1.1566
 Raman1 Fr= 1--       1.945                  6.758                 55.842
 ROA1   Fr= 1--     164.291               -120.172               -203.867
 CID1   Fr= 1--      84.468                -17.783                 -3.651
 Raman2 Fr= 1--       0.789                  2.645                 23.427
 ROA2   Fr= 1--      56.745                -35.349                -69.472
 CID2   Fr= 1--      71.935                -13.362                 -2.965
 Raman3 Fr= 1--       1.578                  5.291                 46.855
 ROA3   Fr= 1--     164.291               -120.172               -203.867
 CID3   Fr= 1--     104.134                -22.713                 -4.351
 RC180  Fr= 1--       0.622                  0.566                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.04  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.08   0.13     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.13  -0.01  -0.06     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02  -0.08   0.13     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.14   0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.13  -0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.01   0.01  -0.04    -0.04  -0.04  -0.03    -0.01  -0.01  -0.01
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.01   0.00  -0.00
     9   6    -0.00  -0.01   0.00    -0.02   0.03   0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00     0.03  -0.00  -0.00    -0.00   0.01   0.03
    11   6     0.04   0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.20   0.09  -0.28    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.31   0.21  -0.18    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1    -0.24   0.09  -0.31     0.00  -0.00   0.01     0.00  -0.00   0.01
    18   1     0.28   0.19  -0.18    -0.02  -0.01   0.01    -0.01  -0.00   0.01
    19   1     0.18  -0.00   0.10     0.16   0.02   0.42     0.06   0.01   0.18
    20   1    -0.22   0.09   0.02     0.18   0.42   0.01     0.07   0.18   0.01
    21   1     0.02  -0.02  -0.01    -0.03  -0.00   0.01    -0.05  -0.03   0.00
    22   1     0.04  -0.01  -0.00    -0.07  -0.05  -0.30    -0.19   0.13   0.44
    23   1    -0.02   0.04   0.01     0.09  -0.38  -0.07     0.21   0.22  -0.04
    24   1     0.00   0.04  -0.04     0.16   0.04   0.19    -0.12  -0.35   0.18
    25   1    -0.03  -0.02  -0.01    -0.10   0.10  -0.24    -0.30  -0.15  -0.17
    26   1     0.01   0.01   0.00    -0.35   0.08   0.08     0.14   0.21   0.03
    27   1     0.02  -0.02  -0.04     0.02  -0.16   0.18     0.15  -0.18  -0.38
    28   1    -0.35  -0.09   0.00     0.01   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.01  -0.04   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03   0.01   0.02     0.00   0.00  -0.00    -0.02   0.01  -0.02
    32   1     0.08   0.03   0.01    -0.01  -0.00   0.00    -0.02   0.01   0.01
    33   1    -0.01   0.06  -0.04    -0.00  -0.00   0.01     0.01  -0.02  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2168              1497.6543              1498.9530
 Red. masses --      1.0465                 1.0756                 1.0553
 Frc consts  --      1.3730                 1.4214                 1.3970
 IR Inten    --      5.0106                 3.7138                 8.1044
 RamAct Fr= 1--      5.7631                 2.6499                 5.9854
  Dep-P Fr= 1--      0.6041                 0.7437                 0.6690
  Dep-U Fr= 1--      0.7532                 0.8530                 0.8017
 Alpha2 Fr= 1--      0.0155                 0.0003                 0.0086
 Beta2  Fr= 1--      0.7235                 0.3767                 0.7997
 AlphaG Fr= 1--     -0.0017                -0.0038                 0.0705
 Gamma2 Fr= 1--     -0.5253                -1.4758                 1.7647
 Delta2 Fr= 1--     -1.4550                 0.2180                 1.6787
 Raman1 Fr= 1--      23.053                 10.600                 23.942
 ROA1   Fr= 1--     -96.986               -134.705                223.127
 CID1   Fr= 1--      -4.207                -12.709                  9.320
 Raman2 Fr= 1--       8.682                  4.521                  9.597
 ROA2   Fr= 1--      -0.967                -37.164                 28.922
 CID2   Fr= 1--      -0.111                 -8.221                  3.014
 Raman3 Fr= 1--      17.364                  9.041                 19.194
 ROA3   Fr= 1--     -96.986               -134.705                223.127
 CID3   Fr= 1--      -5.585                -14.899                 11.625
 RC180  Fr= 1--       0.506                  0.706                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.01  -0.00   0.00
     5   6     0.01  -0.00   0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.03  -0.03  -0.04     0.00   0.01   0.00
     8   6     0.00   0.00  -0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.02   0.00  -0.01     0.00  -0.00  -0.00     0.02  -0.01  -0.03
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    13   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.00  -0.00
    16   1    -0.03  -0.02   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.00
    17   1    -0.01  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.01   0.01
    18   1    -0.02  -0.01   0.00    -0.03  -0.01   0.01     0.01   0.00  -0.01
    19   1     0.00   0.00  -0.00     0.10   0.04   0.45    -0.01  -0.01  -0.06
    20   1     0.00   0.00   0.00     0.18   0.42   0.01    -0.03  -0.06  -0.00
    21   1    -0.00  -0.00  -0.00     0.03   0.07   0.01    -0.00  -0.01  -0.00
    22   1    -0.01   0.01   0.02     0.20  -0.04  -0.01    -0.01   0.00   0.01
    23   1     0.01   0.01  -0.00    -0.20   0.19   0.08     0.02  -0.01  -0.01
    24   1    -0.00  -0.02   0.01    -0.05   0.19  -0.26     0.00  -0.02   0.02
    25   1    -0.02  -0.00  -0.01     0.12  -0.12   0.29    -0.02   0.02  -0.04
    26   1    -0.00   0.01   0.00     0.35  -0.15  -0.10    -0.05   0.02   0.02
    27   1     0.01  -0.01  -0.01    -0.03   0.16  -0.16     0.01  -0.03   0.02
    28   1     0.04   0.06   0.00     0.01   0.01   0.00    -0.06   0.07   0.04
    29   6    -0.04   0.00  -0.03     0.00   0.00  -0.01     0.03   0.01  -0.04
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    31   1     0.48  -0.17   0.48     0.04   0.04   0.01     0.22   0.32   0.00
    32   1     0.33  -0.28  -0.27    -0.07  -0.03  -0.01    -0.60  -0.18   0.00
    33   1    -0.17   0.35   0.28    -0.02  -0.02   0.08    -0.12  -0.24   0.60
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.3647              1511.1715              1551.6598
 Red. masses --      1.0528                 1.0511                 2.4478
 Frc consts  --      1.4038                 1.4142                 3.4724
 IR Inten    --      4.8214                12.3630                25.9715
 RamAct Fr= 1--     10.4760                 0.9390                 0.4835
  Dep-P Fr= 1--      0.7272                 0.5577                 0.6656
  Dep-U Fr= 1--      0.8421                 0.7160                 0.7992
 Alpha2 Fr= 1--      0.0041                 0.0034                 0.0007
 Beta2  Fr= 1--      1.4702                 0.1121                 0.0644
 AlphaG Fr= 1--     -0.0125                 0.0037                -0.0035
 Gamma2 Fr= 1--      1.1163                 1.7093                -0.4737
 Delta2 Fr= 1--     -0.0981                 0.3311                 0.0584
 Raman1 Fr= 1--      41.904                  3.756                  1.934
 ROA1   Fr= 1--     104.021                174.685                -43.610
 CID1   Fr= 1--       2.482                 46.510                -22.547
 Raman2 Fr= 1--      17.643                  1.345                  0.773
 ROA2   Fr= 1--      27.576                 38.374                -11.837
 CID2   Fr= 1--       1.563                 28.538                -15.314
 Raman3 Fr= 1--      35.286                  2.689                  1.546
 ROA3   Fr= 1--     104.021                174.685                -43.610
 CID3   Fr= 1--       2.948                 64.956                -28.210
 RC180  Fr= 1--       0.684                  0.432                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.08   0.04  -0.11
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.15   0.03   0.04
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.10  -0.07   0.07
     4   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.15   0.03   0.03
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.09   0.03  -0.11
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.07   0.07
     7   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.01    -0.03  -0.01  -0.01
     8   6    -0.03   0.03  -0.01     0.02  -0.02  -0.03    -0.00   0.00   0.00
     9   6     0.00   0.03  -0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    10   6    -0.03  -0.01  -0.01     0.01  -0.01  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03  -0.01  -0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.39  -0.01   0.24
    16   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.41   0.17  -0.05
    17   1     0.00   0.00  -0.00     0.01   0.00   0.00     0.41  -0.01   0.27
    18   1     0.01   0.01  -0.00     0.01   0.00  -0.01     0.41   0.16  -0.05
    19   1     0.03  -0.01   0.01     0.05   0.01   0.12    -0.04  -0.01  -0.03
    20   1    -0.04   0.04   0.01     0.03   0.12   0.01    -0.03  -0.03  -0.01
    21   1     0.02  -0.03  -0.03    -0.06   0.07  -0.01     0.01  -0.00   0.00
    22   1    -0.31   0.06  -0.06    -0.06   0.10   0.41    -0.00  -0.00  -0.01
    23   1     0.28  -0.35  -0.12     0.09   0.33   0.01    -0.00  -0.01  -0.00
    24   1     0.11  -0.26   0.40    -0.17  -0.22  -0.00     0.01   0.01   0.00
    25   1     0.26  -0.05   0.35     0.28   0.23   0.06    -0.02  -0.01  -0.01
    26   1     0.32  -0.20  -0.11    -0.32  -0.21  -0.00     0.00   0.01   0.00
    27   1    -0.10   0.28  -0.02    -0.14   0.10   0.50     0.01  -0.01  -0.01
    28   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.03   0.00   0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    31   1     0.01   0.01   0.00     0.00  -0.00   0.00     0.05  -0.01   0.04
    32   1    -0.02  -0.00   0.00     0.00   0.00  -0.00     0.04  -0.02  -0.02
    33   1    -0.00  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.06   0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.0913              1658.1602              1805.8331
 Red. masses --      6.0212                 5.7997                 9.5442
 Frc consts  --      9.2884                 9.3952                18.3378
 IR Inten    --      0.0360                 1.3109               271.9561
 RamAct Fr= 1--      1.8748               118.1452                12.6808
  Dep-P Fr= 1--      0.6843                 0.4902                 0.1982
  Dep-U Fr= 1--      0.8125                 0.6579                 0.3308
 Alpha2 Fr= 1--      0.0022                 0.6103                 0.1731
 Beta2  Fr= 1--      0.2539                12.9546                 0.6991
 AlphaG Fr= 1--      0.0262                -0.2463                -0.3530
 Gamma2 Fr= 1--      0.3384                -0.6608                -1.0386
 Delta2 Fr= 1--      0.0028                 0.6653                 1.0310
 Raman1 Fr= 1--       7.499                472.581                 50.723
 ROA1   Fr= 1--      32.577                -42.150                -66.711
 CID1   Fr= 1--       4.344                 -0.089                 -1.315
 Raman2 Fr= 1--       3.047                155.455                  8.389
 ROA2   Fr= 1--       8.099                -21.182                -33.174
 CID2   Fr= 1--       2.658                 -0.136                 -3.955
 Raman3 Fr= 1--       6.093                310.910                 16.778
 ROA3   Fr= 1--      32.577                -42.150                -66.711
 CID3   Fr= 1--       5.346                 -0.136                 -3.976
 RC180  Fr= 1--       0.625                  0.316                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.09   0.20     0.27   0.01   0.13     0.01   0.00   0.00
     2   6     0.03   0.18  -0.29    -0.20  -0.04  -0.04    -0.00  -0.00   0.00
     3   6     0.11   0.13  -0.16    -0.28  -0.09   0.00    -0.01  -0.00   0.00
     4   6    -0.03  -0.18   0.30     0.18   0.04   0.04     0.02   0.01   0.00
     5   6    -0.08   0.09  -0.20    -0.26  -0.02  -0.13    -0.01  -0.00  -0.00
     6   6    -0.11  -0.12   0.16     0.29   0.10  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.02   0.03     0.03   0.01   0.01     0.00   0.00   0.00
     8   6    -0.00  -0.01   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.02   0.02  -0.03    -0.02  -0.01  -0.01     0.02   0.01  -0.05
    12   6    -0.00   0.01   0.01     0.00   0.02  -0.01    -0.27  -0.32   0.57
    13   8     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.15   0.23  -0.35
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02   0.03  -0.05
    15   1    -0.29  -0.05  -0.08    -0.25   0.08  -0.27    -0.00   0.00  -0.01
    16   1    -0.28  -0.06  -0.07     0.28   0.17  -0.14     0.02   0.01  -0.01
    17   1     0.31   0.06   0.09     0.25  -0.07   0.29    -0.03   0.01  -0.00
    18   1     0.29   0.06   0.06    -0.29  -0.17   0.15    -0.01  -0.01   0.00
    19   1    -0.16   0.01  -0.01     0.03   0.00  -0.01     0.00   0.00  -0.00
    20   1     0.24   0.03  -0.01     0.01  -0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    22   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    23   1    -0.02   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    24   1    -0.01   0.01  -0.02    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    25   1    -0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.01  -0.01    -0.00   0.00   0.01     0.00  -0.00   0.00
    28   1    -0.27  -0.07  -0.01    -0.02   0.00   0.01     0.17  -0.09  -0.13
    29   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    30   1     0.00  -0.01   0.01     0.00   0.00  -0.00     0.03  -0.44   0.16
    31   1     0.02   0.01   0.01     0.02   0.01   0.01     0.03   0.11  -0.02
    32   1    -0.01  -0.02  -0.01     0.02   0.00   0.00    -0.04   0.02   0.04
    33   1    -0.01   0.00   0.02    -0.01   0.03   0.00    -0.03   0.01   0.03
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8381              3018.7397              3020.5420
 Red. masses --      1.0813                 1.0504                 1.0403
 Frc consts  --      5.7446                 5.6395                 5.5920
 IR Inten    --      3.9828                 8.8475                41.8534
 RamAct Fr= 1--    142.9181                15.1546                26.2221
  Dep-P Fr= 1--      0.2138                 0.6366                 0.2910
  Dep-U Fr= 1--      0.3523                 0.7780                 0.4508
 Alpha2 Fr= 1--      1.8705                 0.0311                 0.2763
 Beta2  Fr= 1--      8.3925                 1.9650                 1.9700
 AlphaG Fr= 1--     -1.0497                -0.0789                 0.1478
 Gamma2 Fr= 1--    -11.2841                 4.0183                -1.0057
 Delta2 Fr= 1--     -6.2474                 2.6087                 3.7558
 Raman1 Fr= 1--     571.672                 60.618                104.888
 ROA1   Fr= 1--   -1283.190                469.235                 23.637
 CID1   Fr= 1--      -2.245                  7.741                  0.225
 Raman2 Fr= 1--     100.710                 23.580                 23.641
 ROA2   Fr= 1--    -220.838                 75.570                -54.183
 CID2   Fr= 1--      -2.193                  3.205                 -2.292
 Raman3 Fr= 1--     201.420                 47.160                 47.281
 ROA3   Fr= 1--   -1283.190                469.235                 23.637
 CID3   Fr= 1--      -6.371                  9.950                  0.500
 RC180  Fr= 1--      -0.295                  0.556                 -0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.02    -0.02  -0.04  -0.03     0.01   0.02   0.02
     8   6    -0.01   0.01  -0.08    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01     0.03   0.01   0.01     0.03   0.01   0.01
    10   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.03  -0.02
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.01   0.01     0.12   0.54  -0.12    -0.06  -0.25   0.06
    20   1    -0.04   0.04  -0.23     0.08  -0.10   0.52    -0.04   0.05  -0.26
    21   1     0.18  -0.15   0.91     0.02  -0.01   0.09     0.00   0.00  -0.00
    22   1     0.00   0.04  -0.01    -0.04  -0.32   0.08    -0.04  -0.29   0.07
    23   1    -0.03   0.02  -0.12    -0.09   0.06  -0.41    -0.08   0.06  -0.39
    24   1     0.02  -0.02  -0.02    -0.18   0.16   0.16    -0.19   0.16   0.17
    25   1     0.01  -0.00  -0.00    -0.01   0.01   0.01     0.23  -0.19  -0.20
    26   1    -0.03   0.03  -0.17    -0.01   0.01  -0.07     0.10  -0.10   0.53
    27   1    -0.00   0.00   0.00     0.02   0.01   0.01    -0.27  -0.07  -0.07
    28   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9179              3047.2492              3056.6274
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0740
 IR Inten    --     47.8978                23.7571                15.4242
 RamAct Fr= 1--    431.5566               220.5013                30.9303
  Dep-P Fr= 1--      0.0079                 0.0638                 0.7307
  Dep-U Fr= 1--      0.0157                 0.1200                 0.8444
 Alpha2 Fr= 1--      9.4147                 4.2141                 0.0102
 Beta2  Fr= 1--      1.1281                 4.4094                 4.3529
 AlphaG Fr= 1--      1.1333                -0.3646                 0.1095
 Gamma2 Fr= 1--      1.5835                -0.1218                 0.6651
 Delta2 Fr= 1--     -0.1388                 3.8765                -1.8108
 Raman1 Fr= 1--    1726.226                882.005                123.721
 ROA1   Fr= 1--     147.573                112.351                  5.909
 CID1   Fr= 1--       0.085                  0.127                  0.048
 Raman2 Fr= 1--      13.537                 52.912                 52.235
 ROA2   Fr= 1--      39.114                -33.935                 30.450
 CID2   Fr= 1--       2.889                 -0.641                  0.583
 Raman3 Fr= 1--      27.073                105.825                104.469
 ROA3   Fr= 1--     147.573                112.351                  5.909
 CID3   Fr= 1--       5.451                  1.062                  0.057
 RC180  Fr= 1--      -0.969                 -0.760                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01  -0.03  -0.02     0.00   0.00  -0.00     0.00   0.06  -0.07
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.02  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   6    -0.00   0.03  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1     0.08   0.35  -0.07    -0.00  -0.00   0.00    -0.15  -0.64   0.12
    20   1     0.04  -0.05   0.26    -0.00   0.00  -0.00     0.12  -0.10   0.68
    21   1     0.03  -0.03   0.17    -0.00   0.00  -0.00     0.02  -0.02   0.13
    22   1     0.04   0.30  -0.07    -0.00  -0.00   0.00     0.01   0.12  -0.02
    23   1     0.07  -0.05   0.33    -0.00   0.00  -0.00    -0.02   0.01  -0.10
    24   1     0.18  -0.16  -0.16    -0.00   0.00   0.00     0.02  -0.02  -0.02
    25   1     0.22  -0.19  -0.20     0.00  -0.00  -0.00     0.05  -0.04  -0.04
    26   1     0.09  -0.09   0.48    -0.00   0.00  -0.00    -0.01   0.01  -0.04
    27   1    -0.28  -0.08  -0.07     0.00   0.00   0.00    -0.04  -0.01  -0.01
    28   1     0.00  -0.00   0.00    -0.01   0.02  -0.03     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.02  -0.04  -0.02     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.36   0.18   0.42     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.09   0.23  -0.38     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00     0.64   0.10   0.18    -0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7238              3077.9382              3084.3837
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0222                 6.1369                 6.1622
 IR Inten    --      6.9378                10.1333                56.3896
 RamAct Fr= 1--     70.2884                24.5573               122.1367
  Dep-P Fr= 1--      0.2052                 0.7332                 0.4548
  Dep-U Fr= 1--      0.3405                 0.8461                 0.6252
 Alpha2 Fr= 1--      0.9414                 0.0070                 0.7345
 Beta2  Fr= 1--      3.9893                 3.4629                12.7266
 AlphaG Fr= 1--     -0.3715                 0.0388                 1.3267
 Gamma2 Fr= 1--     -3.4779                 9.2539                -4.6145
 Delta2 Fr= 1--     -1.9268                -4.6968                17.0953
 Raman1 Fr= 1--     281.153                 98.229                488.547
 ROA1   Fr= 1--    -395.533                738.074                104.062
 CID1   Fr= 1--      -1.407                  7.514                  0.213
 Raman2 Fr= 1--      47.872                 41.555                152.719
 ROA2   Fr= 1--     -68.055                259.667               -247.509
 CID2   Fr= 1--      -1.422                  6.249                 -1.621
 Raman3 Fr= 1--      95.744                 83.109                305.438
 ROA3   Fr= 1--    -395.533                738.074                104.062
 CID3   Fr= 1--      -4.131                  8.881                  0.341
 RC180  Fr= 1--      -0.319                  0.692                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.02
     9   6     0.00  -0.00   0.00     0.01   0.02  -0.07    -0.00  -0.04   0.05
    10   6    -0.00   0.00   0.00    -0.01   0.02   0.06    -0.01   0.02   0.06
    11   6    -0.02   0.04  -0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    16   1    -0.01   0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.03   0.00     0.02   0.09  -0.02
    20   1    -0.00   0.00  -0.00     0.00  -0.01   0.03    -0.02   0.01  -0.11
    21   1    -0.00   0.00  -0.00     0.01  -0.00   0.03    -0.04   0.03  -0.19
    22   1     0.00   0.00  -0.00    -0.05  -0.35   0.07     0.07   0.47  -0.10
    23   1    -0.00   0.00  -0.00     0.12  -0.07   0.53    -0.10   0.05  -0.43
    24   1     0.00  -0.00  -0.00    -0.23   0.21   0.19     0.06  -0.05  -0.04
    25   1     0.00  -0.00  -0.00     0.32  -0.27  -0.27     0.34  -0.29  -0.28
    26   1    -0.00   0.00  -0.00    -0.07   0.08  -0.38    -0.08   0.09  -0.42
    27   1     0.00   0.00   0.00    -0.17  -0.04  -0.02    -0.15  -0.04  -0.02
    28   1     0.21  -0.50   0.82    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.03   0.08  -0.14     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1    -0.04  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.9394              3103.6399              3110.8121
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1956                 6.2441                 6.2850
 IR Inten    --     42.6232                33.7686                27.5861
 RamAct Fr= 1--    133.1105                58.2589               109.1646
  Dep-P Fr= 1--      0.6574                 0.7126                 0.6790
  Dep-U Fr= 1--      0.7933                 0.8322                 0.8088
 Alpha2 Fr= 1--      0.2204                 0.0376                 0.1369
 Beta2  Fr= 1--     17.5990                 8.0807                14.7151
 AlphaG Fr= 1--      0.2233                 0.1194                 0.0751
 Gamma2 Fr= 1--     -4.2928                10.3611                -2.3784
 Delta2 Fr= 1--     -9.8098                -0.0619                -4.4800
 Raman1 Fr= 1--     532.442                233.035                436.658
 ROA1   Fr= 1--    -726.020                992.688               -371.683
 CID1   Fr= 1--      -1.364                  4.260                 -0.851
 Raman2 Fr= 1--     211.188                 96.968                176.581
 ROA2   Fr= 1--     -24.548                249.163                -21.241
 CID2   Fr= 1--      -0.116                  2.570                 -0.120
 Raman3 Fr= 1--     422.376                193.936                353.162
 ROA3   Fr= 1--    -726.020                992.688               -371.683
 CID3   Fr= 1--      -1.719                  5.119                 -1.052
 RC180  Fr= 1--       0.587                  0.664                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6     0.03  -0.08  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.01  -0.02    -0.09   0.00  -0.01     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.01   0.05     0.01  -0.01   0.03    -0.00   0.00  -0.00
    22   1     0.08   0.55  -0.14    -0.00  -0.02   0.01    -0.00  -0.00   0.00
    23   1     0.04  -0.04   0.11     0.00   0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.50   0.42   0.43     0.02  -0.02  -0.02    -0.00   0.00   0.00
    25   1    -0.09   0.08   0.08     0.26  -0.24  -0.25    -0.00   0.00   0.00
    26   1     0.02  -0.03   0.13     0.01  -0.03   0.17    -0.00   0.00  -0.00
    27   1     0.09   0.02   0.02     0.82   0.25   0.19    -0.01  -0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03   0.04
    29   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.09   0.02   0.01
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.41  -0.22  -0.50
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.10   0.16
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.66   0.12   0.20
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3130.0229              3157.0497              3164.7600
 Red. masses --      1.1013                 1.0867                 1.0875
 Frc consts  --      6.3569                 6.3813                 6.4175
 IR Inten    --     12.6950                11.6722                11.0028
 RamAct Fr= 1--     28.7824                57.0903                53.6682
  Dep-P Fr= 1--      0.6638                 0.6896                 0.6027
  Dep-U Fr= 1--      0.7979                 0.8163                 0.7521
 Alpha2 Fr= 1--      0.0442                 0.0604                 0.1461
 Beta2  Fr= 1--      3.8276                 7.7673                 6.7277
 AlphaG Fr= 1--     -0.0114                -0.0493                 0.2279
 Gamma2 Fr= 1--      0.3279                -3.5129                 3.9461
 Delta2 Fr= 1--      2.0576                 2.4355                 1.1601
 Raman1 Fr= 1--     115.130                228.361                214.673
 ROA1   Fr= 1--      97.316               -259.300                415.946
 CID1   Fr= 1--       0.845                 -1.135                  1.938
 Raman2 Fr= 1--      45.932                 93.208                 80.732
 ROA2   Fr= 1--      -8.592               -103.793                 85.425
 CID2   Fr= 1--      -0.187                 -1.114                  1.058
 Raman3 Fr= 1--      91.863                186.415                161.465
 ROA3   Fr= 1--      97.316               -259.300                415.946
 CID3   Fr= 1--       1.059                 -1.391                  2.576
 RC180  Fr= 1--       0.596                  0.633                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.04   0.04  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.02  -0.02   0.04    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.03
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.03  -0.07
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.45  -0.44   0.51    -0.04  -0.03   0.04
    16   1    -0.01   0.01  -0.02    -0.22   0.21  -0.50     0.01  -0.01   0.03
    17   1     0.02   0.02  -0.02    -0.02  -0.02   0.02     0.25   0.24  -0.29
    18   1     0.00  -0.00   0.01    -0.01   0.01  -0.02     0.34  -0.31   0.76
    19   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.02
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    28   1     0.03  -0.08   0.13    -0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6    -0.01   0.02  -0.09     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.28   0.15   0.31     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    32   1     0.16  -0.45   0.71    -0.00   0.01  -0.01    -0.00   0.01  -0.02
    33   1     0.18   0.04   0.04    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9896              3184.5904              3723.2376
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4953                 6.5334                 8.6897
 IR Inten    --     16.3939                 3.7423                65.8122
 RamAct Fr= 1--    125.8450               126.4173               125.0121
  Dep-P Fr= 1--      0.1517                 0.1279                 0.2419
  Dep-U Fr= 1--      0.2635                 0.2268                 0.3896
 Alpha2 Fr= 1--      1.9368                 2.0659                 1.5155
 Beta2  Fr= 1--      5.5267                 4.7787                 8.1166
 AlphaG Fr= 1--     -0.9325                 0.2088                -0.3806
 Gamma2 Fr= 1--     -6.0346                 5.0816                -6.0366
 Delta2 Fr= 1--     -2.2350                 1.0339                 0.2149
 Raman1 Fr= 1--     503.380                505.669                500.048
 ROA1   Fr= 1--    -650.837                520.915               -572.635
 CID1   Fr= 1--      -1.293                  1.030                 -1.145
 Raman2 Fr= 1--      66.321                 57.344                 97.399
 ROA2   Fr= 1--    -126.950                113.687               -146.597
 CID2   Fr= 1--      -1.914                  1.983                 -1.505
 Raman3 Fr= 1--     132.642                114.689                194.797
 ROA3   Fr= 1--    -650.837                520.915               -572.635
 CID3   Fr= 1--      -4.907                  4.542                 -2.940
 RC180  Fr= 1--      -0.473                 -0.546                 -0.221
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.03   0.02  -0.06     0.00  -0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.01  -0.01     0.04   0.04  -0.05    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.02   0.01  -0.03     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03  -0.02  -0.05
    15   1    -0.32  -0.31   0.36     0.04   0.04  -0.05    -0.00  -0.00   0.00
    16   1     0.31  -0.29   0.68    -0.03   0.03  -0.06     0.00  -0.00   0.00
    17   1    -0.07  -0.06   0.08    -0.49  -0.47   0.56     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.18  -0.16   0.39    -0.00   0.00  -0.00
    19   1    -0.00  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1     0.01  -0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.55   0.31   0.78
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
    32   1     0.00  -0.01   0.01     0.00  -0.01   0.02     0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1144.562897350.353507530.72542
           X            0.99997   0.00313   0.00765
           Y           -0.00333   0.99963   0.02716
           Z           -0.00756  -0.02718   0.99960
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07567     0.01178     0.01150
 Rotational constants (GHZ):           1.57680     0.24553     0.23965
 Zero-point vibrational energy     745948.1 (Joules/Mol)
                                  178.28587 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.97    54.75    64.53    79.94    87.85
          (Kelvin)            146.58   238.82   308.98   322.63   327.97
                              339.30   366.42   428.88   444.68   515.18
                              551.50   589.30   602.58   610.55   687.40
                              734.71   851.41   888.82   923.55   957.49
                             1028.79  1096.74  1148.54  1189.54  1209.73
                             1226.52  1232.23  1257.52  1291.66  1346.66
                             1373.45  1382.05  1398.16  1407.41  1460.07
                             1505.26  1559.64  1578.69  1592.72  1637.82
                             1652.25  1671.15  1717.70  1743.67  1757.97
                             1779.01  1796.68  1842.12  1884.12  1897.40
                             1941.52  1961.85  1974.27  1977.74  2003.64
                             2019.30  2037.30  2047.71  2100.80  2137.23
                             2143.86  2146.97  2154.79  2156.66  2164.45
                             2174.24  2232.49  2328.07  2385.72  2598.19
                             4320.41  4343.29  4345.89  4355.06  4384.31
                             4397.81  4418.09  4428.47  4437.74  4445.73
                             4465.45  4475.76  4503.40  4542.29  4553.38
                             4568.10  4581.92  5356.91
 
 Zero-point correction=                           0.284117 (Hartree/Particle)
 Thermal correction to Energy=                    0.299820
 Thermal correction to Enthalpy=                  0.300764
 Thermal correction to Gibbs Free Energy=         0.239319
 Sum of electronic and zero-point Energies=           -656.740229
 Sum of electronic and thermal Energies=              -656.724525
 Sum of electronic and thermal Enthalpies=            -656.723581
 Sum of electronic and thermal Free Energies=         -656.785027
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.140             58.746            129.323
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.516
 Vibrational            186.363             52.784             54.933
 Vibration     1          0.593              1.985              6.305
 Vibration     2          0.594              1.982              5.358
 Vibration     3          0.595              1.979              5.032
 Vibration     4          0.596              1.975              4.609
 Vibration     5          0.597              1.973              4.423
 Vibration     6          0.604              1.948              3.418
 Vibration     7          0.624              1.884              2.480
 Vibration     8          0.645              1.819              2.003
 Vibration     9          0.649              1.804              1.925
 Vibration    10          0.651              1.798              1.895
 Vibration    11          0.655              1.786              1.834
 Vibration    12          0.665              1.755              1.698
 Vibration    13          0.691              1.677              1.428
 Vibration    14          0.698              1.656              1.367
 Vibration    15          0.733              1.559              1.130
 Vibration    16          0.753              1.506              1.026
 Vibration    17          0.774              1.449              0.928
 Vibration    18          0.782              1.429              0.896
 Vibration    19          0.786              1.417              0.877
 Vibration    20          0.834              1.299              0.716
 Vibration    21          0.866              1.226              0.632
 Vibration    22          0.949              1.049              0.464
 Vibration    23          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.833919-110       -110.078876       -253.465979
 Total V=0       0.403258D+21         20.605583         47.446109
 Vib (Bot)       0.251604-124       -124.599282       -286.900449
 Vib (Bot)    1  0.877267D+01          0.943132          2.171641
 Vib (Bot)    2  0.543778D+01          0.735422          1.693372
 Vib (Bot)    3  0.461103D+01          0.663798          1.528452
 Vib (Bot)    4  0.371858D+01          0.570377          1.313342
 Vib (Bot)    5  0.338156D+01          0.529116          1.218336
 Vib (Bot)    6  0.201367D+01          0.303989          0.699960
 Vib (Bot)    7  0.121568D+01          0.084819          0.195304
 Vib (Bot)    8  0.923097D+00         -0.034753         -0.080021
 Vib (Bot)    9  0.880525D+00         -0.055258         -0.127237
 Vib (Bot)   10  0.864820D+00         -0.063074         -0.145234
 Vib (Bot)   11  0.833041D+00         -0.079334         -0.182672
 Vib (Bot)   12  0.764640D+00         -0.116543         -0.268350
 Vib (Bot)   13  0.638682D+00         -0.194715         -0.448348
 Vib (Bot)   14  0.612139D+00         -0.213150         -0.490797
 Vib (Bot)   15  0.512542D+00         -0.290270         -0.668372
 Vib (Bot)   16  0.470599D+00         -0.327349         -0.753749
 Vib (Bot)   17  0.432090D+00         -0.364426         -0.839122
 Vib (Bot)   18  0.419631D+00         -0.377132         -0.868379
 Vib (Bot)   19  0.412397D+00         -0.384684         -0.885768
 Vib (Bot)   20  0.350731D+00         -0.455026         -1.047736
 Vib (Bot)   21  0.318795D+00         -0.496489         -1.143207
 Vib (Bot)   22  0.254469D+00         -0.594365         -1.368576
 Vib (Bot)   23  0.237284D+00         -0.624731         -1.438496
 Vib (V=0)       0.121668D+07          6.085177         14.011639
 Vib (V=0)    1  0.928691D+01          0.967871          2.228605
 Vib (V=0)    2  0.596072D+01          0.775299          1.785192
 Vib (V=0)    3  0.513806D+01          0.710800          1.636676
 Vib (V=0)    4  0.425204D+01          0.628598          1.447400
 Vib (V=0)    5  0.391832D+01          0.593100          1.365663
 Vib (V=0)    6  0.257482D+01          0.410747          0.945779
 Vib (V=0)    7  0.181449D+01          0.258754          0.595803
 Vib (V=0)    8  0.154981D+01          0.190279          0.438135
 Vib (V=0)    9  0.151258D+01          0.179719          0.413819
 Vib (V=0)   10  0.149896D+01          0.175789          0.404769
 Vib (V=0)   11  0.147157D+01          0.167782          0.386333
 Vib (V=0)   12  0.141360D+01          0.150328          0.346143
 Vib (V=0)   13  0.131112D+01          0.117642          0.270881
 Vib (V=0)   14  0.129039D+01          0.110720          0.254943
 Vib (V=0)   15  0.121603D+01          0.084944          0.195592
 Vib (V=0)   16  0.118663D+01          0.074316          0.171119
 Vib (V=0)   17  0.116083D+01          0.064770          0.149139
 Vib (V=0)   18  0.115276D+01          0.061737          0.142156
 Vib (V=0)   19  0.114813D+01          0.059991          0.138134
 Vib (V=0)   20  0.111075D+01          0.045615          0.105033
 Vib (V=0)   21  0.109298D+01          0.038614          0.088912
 Vib (V=0)   22  0.106103D+01          0.025728          0.059240
 Vib (V=0)   23  0.105345D+01          0.022613          0.052068
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.284930D+07          6.454738         14.862583
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888877766655444433322222211     
     2        87653109877542210                           051510999986210977641184321964309841776539755429616419172118509532216065432
     3        55570140481777193                           688214982050363352499009622428877465821568462178255282184903898568456216584
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X                  XX                     
     X                X    X                              X                           XX   X                  XX                     
     X                                                    X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003950    0.000000493    0.000003928
      2        6          -0.000002634   -0.000000818   -0.000001355
      3        6          -0.000004008    0.000002802    0.000001211
      4        6           0.000007275    0.000000242    0.000001003
      5        6          -0.000000338   -0.000002106   -0.000001904
      6        6          -0.000002252    0.000001856    0.000001490
      7        6          -0.000001626    0.000002751    0.000002480
      8        6           0.000001749    0.000002742    0.000000321
      9        6           0.000004305   -0.000003614   -0.000000230
     10        6           0.000000224    0.000000674   -0.000001418
     11        6          -0.000005023   -0.000010681   -0.000004072
     12        6           0.000005907   -0.000007388   -0.000003413
     13        8          -0.000002214    0.000007560    0.000001045
     14        8          -0.000005393    0.000003572    0.000005679
     15        1           0.000000436    0.000000603   -0.000001048
     16        1           0.000000944    0.000000035   -0.000000101
     17        1          -0.000000008    0.000000207    0.000000005
     18        1           0.000000288   -0.000001043   -0.000000583
     19        1          -0.000000674   -0.000000951    0.000000981
     20        1          -0.000000981   -0.000001001   -0.000001355
     21        1          -0.000000234   -0.000003396    0.000001221
     22        1          -0.000000607   -0.000001257    0.000000368
     23        1           0.000000610   -0.000000741    0.000000531
     24        1           0.000002640   -0.000000288   -0.000000386
     25        1           0.000000532   -0.000000777   -0.000001346
     26        1           0.000000225    0.000001887   -0.000000605
     27        1          -0.000001470    0.000000592   -0.000001347
     28        1           0.000002741   -0.000000964    0.000000073
     29        6           0.000000491    0.000004169   -0.000003008
     30        1          -0.000002945    0.000005711    0.000003865
     31        1          -0.000000333   -0.000001169   -0.000000153
     32        1          -0.000001288    0.000000502   -0.000000707
     33        1          -0.000000288   -0.000000206   -0.000001170
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010681 RMS     0.000002727
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.221323D+03  0.985809D+01  0.362062D+01
      2   0.985809D+01  0.143847D+03 -0.968481D+01
      3   0.362062D+01 -0.968481D+01  0.147254D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.372224D+01  0.453810D+01 -0.519319D+01
      2  -0.350284D+02 -0.266534D+01 -0.506572D+02
      3  -0.805301D+01  0.491030D+02 -0.340516D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.279995D+03 -0.246415D+02 -0.569022D+02
      2   0.134421D+03  0.303399D+02  0.349864D+02
      3   0.145574D+03 -0.569845D+01  0.219159D+02
      4   0.193126D+02 -0.970957D+02  0.589457D+01
      5  -0.557711D+01  0.755878D+01 -0.925300D+02
      6   0.119007D+02  0.378945D+02  0.209529D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.809692D+01  0.166316D+01  0.135824D+01 -0.257175D+01 -0.212113D+00
      2   0.166316D+01 -0.105254D+01  0.587066D+00 -0.212113D+00 -0.391422D+01
      3   0.135824D+01  0.587066D+00 -0.331751D+01 -0.214111D+01  0.644270D+00
                 6             7             8             9            10 
      1  -0.214111D+01  0.125271D+02  0.231680D+00  0.110480D+01 -0.284270D+02
      2   0.644270D+00  0.231680D+00 -0.128832D+01  0.149883D+01 -0.154123D+01
      3   0.714277D+00  0.110480D+01  0.149883D+01  0.117255D+01 -0.249210D+01
                11            12            13            14            15 
      1  -0.154123D+01 -0.249210D+01 -0.303919D+01 -0.393359D+01 -0.199255D+01
      2  -0.204352D+01  0.550686D+00 -0.393359D+01 -0.220554D+01 -0.554559D+00
      3   0.550686D+00 -0.265717D+01 -0.199255D+01 -0.554559D+00 -0.156054D+01
                16            17            18            19            20 
      1  -0.547081D+01 -0.210777D+01 -0.188819D+01 -0.104774D+02 -0.237827D+01
      2  -0.210777D+01 -0.544048D+00 -0.827986D+00 -0.237827D+01  0.268910D+01
      3  -0.188819D+01 -0.827986D+00 -0.102937D+01 -0.161981D+01 -0.158188D+01
                21            22            23            24            25 
      1  -0.161981D+01 -0.942175D+01  0.125560D+00 -0.293034D+00  0.699384D+01
      2  -0.158188D+01  0.125560D+00 -0.244754D+01  0.105567D+01  0.214982D+01
      3   0.734850D+00 -0.293034D+00  0.105567D+01  0.264492D+01 -0.240007D+00
                26            27            28            29            30 
      1   0.214982D+01 -0.240007D+00  0.246579D+02  0.302715D+01  0.285805D+01
      2   0.840288D+00  0.163993D+01  0.302715D+01  0.233974D+01  0.846114D-01
      3   0.163993D+01  0.284615D+01  0.285805D+01  0.846114D-01  0.271069D+01
                31            32            33            34            35 
      1   0.220259D+01  0.372974D+01  0.223857D+01  0.258551D+01  0.244146D+01
      2   0.372974D+01  0.165150D+01  0.129624D+01  0.244146D+01  0.176369D+01
      3   0.223857D+01  0.129624D+01  0.115591D+01  0.246043D+01 -0.584286D+00
                36            37            38            39            40 
      1   0.246043D+01 -0.705009D+01 -0.155170D+01 -0.182748D+01  0.367917D+01
      2  -0.584286D+00 -0.155170D+01  0.399299D+00  0.785474D-01  0.101126D+01
      3   0.829126D+00 -0.182748D+01  0.785474D-01  0.310624D+01  0.176253D+01
                41            42            43            44            45 
      1   0.101126D+01  0.176253D+01 -0.120987D+02 -0.111625D+01 -0.106294D+01
      2   0.369172D+01 -0.902968D+00 -0.111625D+01 -0.175872D+00 -0.781039D+00
      3  -0.902968D+00 -0.761377D+00 -0.106294D+01 -0.781039D+00 -0.162048D+01
                46            47            48            49            50 
      1   0.942549D+01  0.203823D+01  0.161124D+01  0.971518D+01 -0.647034D+00
      2   0.203823D+01 -0.155844D+01  0.649958D+00 -0.647034D+00  0.214356D+01
      3   0.161124D+01  0.649958D+00 -0.224597D+00  0.111615D+01 -0.159801D+01
                51            52            53            54            55 
      1   0.111615D+01 -0.671706D+01 -0.149987D+01  0.234442D+00  0.165346D+02
      2  -0.159801D+01 -0.149987D+01 -0.956039D+00 -0.139916D+01 -0.131398D+01
      3  -0.241254D+01  0.234442D+00 -0.139916D+01 -0.269527D+01 -0.239320D+00
                56            57            58            59            60 
      1  -0.131398D+01 -0.239320D+00 -0.479579D+01  0.512119D+01  0.917096D+00
      2   0.240235D+01  0.444840D+00  0.512119D+01  0.583453D+01 -0.356476D+00
      3   0.444840D+00  0.112022D+01  0.917096D+00 -0.356476D+00 -0.114268D+01
                61            62            63            64            65 
      1  -0.635977D+01  0.121167D+01  0.269538D+01 -0.236051D+01  0.450683D+01
      2   0.121167D+01 -0.189981D+01 -0.467562D+00  0.450683D+01 -0.202965D+01
      3   0.269538D+01 -0.467562D+00  0.582638D+01  0.141520D+01 -0.475252D+00
                66            67            68            69            70 
      1   0.141520D+01  0.114099D+02 -0.327192D+01 -0.494440D+00  0.864783D+01
      2  -0.475252D+00 -0.327192D+01 -0.493313D+01  0.748155D+00 -0.734732D+00
      3  -0.220950D+01 -0.494440D+00  0.748155D+00  0.185597D+01 -0.331044D+01
                71            72            73            74            75 
      1  -0.734732D+00 -0.331044D+01 -0.300335D+01 -0.385074D+01 -0.232656D+01
      2   0.172594D+01  0.191989D+01 -0.385074D+01  0.185267D+01  0.663431D+00
      3   0.191989D+01 -0.756204D+01 -0.232656D+01  0.663431D+00  0.280524D+01
                76            77            78            79            80 
      1  -0.588380D+01  0.358086D+01  0.922320D+00 -0.432491D+01  0.800565D+00
      2   0.358086D+01  0.590291D+01 -0.223491D+01  0.800565D+00 -0.245858D+01
      3   0.922320D+00 -0.223491D+01 -0.170446D+01  0.445004D+01 -0.133046D+01
                81            82            83            84            85 
      1   0.445004D+01 -0.364992D+01 -0.445660D+01 -0.287409D+01 -0.523945D+01
      2  -0.133046D+01 -0.445660D+01  0.221439D+01  0.852010D+00  0.222654D+01
      3   0.502596D+01 -0.287409D+01  0.852010D+00  0.186532D+01  0.837030D+00
                86            87            88            89            90 
      1   0.222654D+01  0.837030D+00 -0.408967D+01  0.965937D+00  0.275918D+01
      2   0.270845D+01 -0.150785D+01  0.965937D+00 -0.242603D+01 -0.324073D+01
      3  -0.150785D+01 -0.230756D+01  0.275918D+01 -0.324073D+01  0.485242D+01
                91            92            93            94            95 
      1  -0.328355D+01  0.848270D+00 -0.810437D-01  0.265962D+00 -0.489864D+01
      2   0.848270D+00 -0.223676D+01 -0.770616D+00 -0.489864D+01 -0.385757D+01
      3  -0.810437D-01 -0.770616D+00 -0.163097D+01 -0.227007D+01 -0.265601D+01
                96            97            98            99           100 
      1  -0.227007D+01  0.413173D+01 -0.183490D+01 -0.304235D+01 -0.133281D+01
      2  -0.265601D+01 -0.183490D+01 -0.103111D+01  0.286262D+01 -0.175854D+01
      3   0.180552D+01 -0.304235D+01  0.286262D+01 -0.183476D+01  0.867380D+00
               101           102           103           104           105 
      1  -0.175854D+01  0.867380D+00 -0.310431D+01  0.436301D+00  0.243746D+01
      2   0.195267D+00  0.116732D+01  0.436301D+00  0.874234D-01  0.457398D+00
      3   0.116732D+01  0.669344D+00  0.243746D+01  0.457398D+00 -0.341688D+01
               106           107           108           109           110 
      1   0.140438D+01  0.175080D+01 -0.563430D+00  0.468022D+01  0.227604D+01
      2   0.175080D+01  0.190715D+00 -0.262140D+01  0.227604D+01  0.130291D+01
      3  -0.563430D+00 -0.262140D+01  0.137454D+01 -0.316586D+01 -0.936496D+00
               111           112           113           114           115 
      1  -0.316586D+01  0.495596D+01  0.181841D+01 -0.176018D+01 -0.694713D+01
      2  -0.936496D+00  0.181841D+01  0.419625D+01 -0.196220D+01 -0.105600D+01
      3   0.140208D+01 -0.176018D+01 -0.196220D+01  0.273737D+01  0.359296D+01
               116           117           118           119           120 
      1  -0.105600D+01  0.359296D+01 -0.966543D+00 -0.988992D-01  0.202470D+01
      2  -0.262583D+01  0.238610D+01 -0.988992D-01 -0.129469D+01 -0.141835D+01
      3   0.238610D+01 -0.659668D+01  0.202470D+01 -0.141835D+01 -0.151712D+01
               121           122           123           124           125 
      1  -0.208418D+01  0.549275D+00 -0.129364D+01  0.430806D+01 -0.278412D+01
      2   0.549275D+00 -0.430242D+01  0.121730D+01 -0.278412D+01  0.334463D+01
      3  -0.129364D+01  0.121730D+01  0.843081D+00 -0.144633D+01  0.517625D+00
               126           127           128           129           130 
      1  -0.144633D+01 -0.350178D+01 -0.194175D+01  0.187248D+01 -0.231141D+01
      2   0.517625D+00 -0.194175D+01 -0.182137D+01  0.135691D+01 -0.171028D+01
      3   0.291455D+01  0.187248D+01  0.135691D+01 -0.145906D+01  0.181104D+01
               131           132           133           134           135 
      1  -0.171028D+01  0.181104D+01  0.213605D+01  0.154240D+01 -0.198462D+01
      2  -0.241174D+01  0.194751D+01  0.154240D+01  0.251186D+01 -0.241522D+01
      3   0.194751D+01 -0.242635D+01 -0.198462D+01 -0.241522D+01  0.350156D+01
               136           137           138           139           140 
      1   0.202229D+01 -0.637154D+00  0.208948D+01 -0.668976D+00  0.394975D+00
      2  -0.637154D+00  0.427805D+00 -0.664246D+00  0.394975D+00 -0.120267D+01
      3   0.208948D+01 -0.664246D+00  0.229811D+01 -0.930321D+00  0.143061D+01
               141           142           143           144           145 
      1  -0.930321D+00  0.203328D+01 -0.120278D+01  0.260692D+01  0.407125D+01
      2   0.143061D+01 -0.120278D+01  0.190275D+01 -0.274106D+01  0.150716D+01
      3  -0.310520D+01  0.260692D+01 -0.274106D+01  0.664040D+01 -0.164122D+01
               146           147           148           149           150 
      1   0.150716D+01 -0.164122D+01  0.178474D+01  0.125575D+01 -0.147151D+01
      2   0.123525D+01 -0.823343D+00  0.125575D+01  0.153131D+01 -0.136489D+01
      3  -0.823343D+00  0.127698D+01 -0.147151D+01 -0.136489D+01  0.201491D+01
               151           152           153           154           155 
      1  -0.206661D+01 -0.135302D+01  0.182511D+01 -0.179635D+01  0.548168D+00
      2  -0.135302D+01 -0.195261D+01  0.181960D+01  0.548168D+00 -0.264682D+00
      3   0.182511D+01  0.181960D+01 -0.331858D+01 -0.187591D+01  0.465255D+00
               156           157           158           159           160 
      1  -0.187591D+01  0.297044D+00 -0.287777D+00  0.695176D+00 -0.244346D+01
      2   0.465255D+00 -0.287777D+00  0.849522D+00 -0.113910D+01  0.112747D+01
      3  -0.207843D+01  0.695176D+00 -0.113910D+01  0.277142D+01 -0.252750D+01
               161           162           163           164           165 
      1   0.112747D+01 -0.252750D+01 -0.314562D+01 -0.168041D+01  0.246371D+00
      2  -0.151931D+01  0.220083D+01 -0.168041D+01 -0.169891D+01 -0.229215D+00
      3   0.220083D+01 -0.659385D+01  0.246371D+00 -0.229215D+00 -0.237311D+00
               166           167           168           169           170 
      1  -0.405967D+01 -0.317448D+01 -0.436057D+00  0.360205D+01  0.330256D+00
      2  -0.317448D+01 -0.854148D+01 -0.416595D+00  0.330256D+00  0.106016D+01
      3  -0.436057D+00 -0.416595D+00 -0.701354D+00 -0.573218D+00 -0.899068D+00
               171           172           173           174           175 
      1  -0.573218D+00 -0.851339D+00  0.311300D+00 -0.134651D+01  0.229291D+01
      2  -0.899068D+00  0.311300D+00 -0.441685D+00 -0.169706D+00 -0.703574D+00
      3  -0.295136D+00 -0.134651D+01 -0.169706D+00 -0.120623D+01  0.299939D+00
               176           177           178           179           180 
      1  -0.703574D+00  0.299939D+00 -0.294272D+01 -0.166960D+00 -0.211696D+01
      2  -0.440429D+00 -0.799532D+00 -0.166960D+00 -0.957045D+00 -0.745377D+00
      3  -0.799532D+00  0.734938D+00 -0.211696D+01 -0.745377D+00 -0.706527D+01
               181           182           183           184           185 
      1   0.693842D+00 -0.100000D+01  0.115094D+01 -0.183612D+01  0.339961D+00
      2  -0.100000D+01  0.394460D+00  0.326107D-01  0.339961D+00  0.607047D-01
      3   0.115094D+01  0.326107D-01  0.663173D+00 -0.134323D+00  0.931898D+00
               186           187           188           189           190 
      1  -0.134323D+00  0.188454D+01 -0.347594D-01  0.513121D+00 -0.105594D+01
      2   0.931898D+00 -0.347594D-01  0.117258D+01 -0.869925D+00 -0.139345D+01
      3  -0.836106D+00  0.513121D+00 -0.869925D+00  0.739671D+01  0.527759D+00
               191           192           193           194           195 
      1  -0.139345D+01  0.527759D+00 -0.325631D+01 -0.342931D+01  0.355410D+00
      2  -0.138920D+01  0.185047D+00 -0.342931D+01 -0.832245D+01  0.119186D+01
      3   0.185047D+00 -0.484486D+00  0.355410D+00  0.119186D+01 -0.110426D+01
               196           197           198           199           200 
      1   0.123982D+01  0.521881D+00 -0.114011D+01 -0.188596D+01  0.395006D+00
      2   0.521881D+00  0.153069D+01 -0.106107D+01  0.395006D+00 -0.440312D+00
      3  -0.114011D+01 -0.106107D+01  0.279247D+00 -0.138533D+01 -0.239290D-01
               201           202           203           204           205 
      1  -0.138533D+01  0.117622D+01 -0.967439D+00  0.259524D+00 -0.373769D+01
      2  -0.239290D-01 -0.967439D+00 -0.284308D+00 -0.693854D+00 -0.228427D+00
      3  -0.154450D+01  0.259524D+00 -0.693854D+00  0.751900D+00 -0.339606D+01
               206           207           208           209           210 
      1  -0.228427D+00 -0.339606D+01 -0.751631D+01  0.215873D+01  0.253529D+01
      2  -0.108323D+01  0.209302D+00  0.215873D+01 -0.145466D+01 -0.748583D+00
      3   0.209302D+00 -0.679832D+01  0.253529D+01 -0.748583D+00 -0.176243D+01
               211           212           213           214           215 
      1   0.500763D+01 -0.243024D+01 -0.126898D+01  0.495335D+01 -0.102799D+01
      2  -0.243024D+01  0.147443D+01  0.122649D+01 -0.102799D+01  0.144788D+01
      3  -0.126898D+01  0.122649D+01  0.136384D+01 -0.292385D+01  0.106919D+01
               216           217           218           219           220 
      1  -0.292385D+01 -0.438353D+01  0.334398D+01  0.182977D+01  0.277132D+01
      2   0.106919D+01  0.334398D+01 -0.325452D+01 -0.113250D+01 -0.307169D+01
      3   0.188615D+01  0.182977D+01 -0.113250D+01 -0.145837D+01 -0.117814D+01
               221           222           223           224           225 
      1  -0.307169D+01 -0.117814D+01  0.289881D+01 -0.187853D+01 -0.200447D+01
      2   0.430995D+01  0.181827D+01 -0.187853D+01  0.291002D+01  0.212937D+01
      3   0.181827D+01  0.141871D+01 -0.200447D+01  0.212937D+01  0.180602D+01
               226           227           228           229           230 
      1  -0.433592D+00  0.992592D+00 -0.828155D+00  0.800530D+00 -0.631118D+00
      2   0.992592D+00 -0.776061D+00  0.264500D+00 -0.631118D+00  0.123836D+01
      3  -0.828155D+00  0.264500D+00 -0.108267D+01  0.215816D+00 -0.110430D+01
               231           232           233           234           235 
      1   0.215816D+00 -0.166591D+01  0.638542D+00 -0.148266D+01  0.834578D+01
      2  -0.110430D+01  0.638542D+00 -0.235321D+01  0.235891D+01  0.133287D+01
      3   0.121106D+01 -0.148266D+01  0.235891D+01 -0.629956D+01  0.117858D+01
               236           237           238           239           240 
      1   0.133287D+01  0.117858D+01  0.822902D+00  0.157250D+01  0.204433D+00
      2   0.231440D+01  0.289052D+00  0.157250D+01  0.134913D+01  0.491084D+00
      3   0.289052D+00  0.693041D+00  0.204433D+00  0.491084D+00  0.690421D+00
               241           242           243           244           245 
      1   0.115078D+01  0.372936D+00  0.449158D+00 -0.182279D+00 -0.119294D+01
      2   0.372936D+00  0.849244D+00  0.895345D+00 -0.119294D+01  0.539651D+00
      3   0.449158D+00  0.895345D+00  0.163290D+00  0.124478D+01 -0.251129D+00
               246           247           248           249           250 
      1   0.124478D+01 -0.200142D+01  0.973619D+00 -0.445381D+00  0.211305D+01
      2  -0.251129D+00  0.973619D+00 -0.148831D+01  0.153364D+01 -0.276836D+00
      3   0.113587D+01 -0.445381D+00  0.153364D+01 -0.190443D+01  0.204576D+01
               251           252           253           254           255 
      1  -0.276836D+00  0.204576D+01 -0.792314D+01 -0.382608D+01 -0.416338D+01
      2   0.186927D+01 -0.161124D+01 -0.382608D+01  0.107077D+01  0.389238D+00
      3  -0.161124D+01  0.522792D+01 -0.416338D+01  0.389238D+00  0.173774D+01
               256           257           258           259           260 
      1   0.131524D+01  0.354483D+01  0.112651D+01 -0.383100D+01  0.501634D+00
      2   0.354483D+01  0.412544D+01  0.229984D+01  0.501634D+00  0.136469D+01
      3   0.112651D+01  0.229984D+01 -0.199015D+01  0.195565D+01 -0.317667D+01
               261           262           263           264           265 
      1   0.195565D+01  0.376703D+01 -0.251081D+01 -0.174915D+01 -0.166334D+01
      2  -0.317667D+01 -0.251081D+01  0.227937D+01  0.117864D+01  0.177783D+01
      3   0.968321D-02 -0.174915D+01  0.117864D+01  0.157642D+01  0.925001D+00
               266           267           268           269           270 
      1   0.177783D+01  0.925001D+00 -0.344988D+01  0.255730D+01  0.265975D+01
      2  -0.273490D+01 -0.110215D+01  0.255730D+01 -0.298852D+01 -0.222654D+01
      3  -0.110215D+01 -0.115276D+01  0.265975D+01 -0.222654D+01 -0.287459D+01
               271           272           273           274           275 
      1  -0.155006D+01  0.123693D+01  0.180452D+01  0.566849D+00 -0.909209D+00
      2   0.123693D+01 -0.207830D+01 -0.138504D+01 -0.909209D+00  0.179273D+01
      3   0.180452D+01 -0.138504D+01 -0.222061D+01 -0.539898D+00  0.132060D+01
               276           277           278           279           280 
      1  -0.539898D+00  0.203470D+01 -0.486989D+00 -0.118689D+01  0.410190D+00
      2   0.132060D+01 -0.486989D+00  0.230472D+01  0.264217D+01  0.787557D+00
      3   0.159709D+01 -0.118689D+01  0.264217D+01  0.432667D+01 -0.315507D+00
               281           282           283           284           285 
      1   0.787557D+00 -0.315507D+00  0.868091D+00 -0.217085D-01 -0.696528D-01
      2  -0.640539D+00  0.985839D-01 -0.217085D-01  0.299175D+01 -0.171606D+01
      3   0.985839D-01 -0.467993D+00 -0.696528D-01 -0.171606D+01  0.171853D+01
               286           287           288           289           290 
      1  -0.145281D+01 -0.463683D+00 -0.406161D+00  0.120716D+02  0.415860D+01
      2  -0.463683D+00 -0.328897D+01  0.164267D+01  0.415860D+01  0.281843D+01
      3  -0.406161D+00  0.164267D+01 -0.293406D+01  0.331664D+01  0.127197D+01
               291           292           293           294           295 
      1   0.331664D+01  0.200520D+01  0.184153D+01  0.595289D+00  0.295326D+01
      2   0.127197D+01  0.184153D+01  0.114705D+01  0.498630D+00  0.110926D+01
      3   0.176364D+01  0.595289D+00  0.498630D+00  0.496804D+00  0.194350D+01
               296           297 
      1   0.110926D+01  0.194350D+01
      2   0.759403D+00  0.120643D+01
      3   0.120643D+01  0.143866D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.226282D+01 -0.964308D+00 -0.221840D+01 -0.630369D+01 -0.121834D+01
      2   0.163121D+01 -0.230010D+01  0.193296D+01 -0.529914D+01  0.127926D+01
      3  -0.700048D+01 -0.362548D+01  0.191027D+00  0.106519D+02 -0.108959D+01
                 6             7             8             9            10 
      1  -0.396937D+01 -0.372429D+01  0.272270D+01 -0.492337D+00 -0.997570D+00
      2  -0.845570D+00 -0.543394D+01 -0.132705D+01 -0.743475D+00  0.378338D+01
      3   0.301568D+01 -0.416644D+01 -0.101022D+01  0.295236D+01  0.123457D+02
                11            12            13            14            15 
      1  -0.158834D+01  0.115296D+01 -0.506574D+01  0.477506D+01 -0.633278D+01
      2   0.109337D+01 -0.276693D+01  0.600345D+01  0.259689D+01 -0.302558D+01
      3   0.104977D+01  0.705463D+00  0.142698D+02  0.129620D+01  0.979437D+00
                16            17            18            19            20 
      1   0.663043D+01  0.247538D+00 -0.561953D+01 -0.231771D+01  0.164768D+01
      2  -0.196204D+02 -0.242928D+01  0.160602D+01  0.154164D+01 -0.255486D+01
      3  -0.290812D+01  0.103743D+01 -0.775597D+00  0.240178D+01 -0.556946D+00
                21            22            23            24            25 
      1  -0.802127D+00  0.380288D+01  0.936535D+00 -0.225059D+00  0.298093D+01
      2   0.856248D+01  0.249140D+01 -0.284850D+01  0.325036D+01 -0.928902D+01
      3   0.335969D+01  0.127803D+02  0.333754D+01  0.534737D+00  0.170728D+01
                26            27            28            29            30 
      1   0.366104D+01  0.359863D+01  0.146207D+01 -0.156398D+01  0.430081D+01
      2   0.449507D-01  0.775335D-01 -0.334300D+01  0.913903D+00 -0.250570D+01
      3  -0.148082D+00 -0.200179D+01 -0.120451D+02 -0.222694D+01 -0.246273D+01
                31            32            33            34            35 
      1  -0.178596D+01  0.515900D+01 -0.522917D+01  0.823495D+01  0.176728D+01
      2   0.592795D+01  0.285607D+01 -0.392319D+01 -0.182181D+02 -0.647082D+01
      3   0.131293D+02  0.110977D+01 -0.117062D+01 -0.858443D+01 -0.721153D+00
                36            37            38            39            40 
      1  -0.417697D+01  0.720231D+00 -0.127671D+01  0.239810D+00 -0.451680D+01
      2  -0.293708D+01  0.593603D+01 -0.114852D+01  0.310149D+01 -0.610770D+01
      3  -0.105085D+01  0.196318D+01 -0.192322D+01  0.291193D+01  0.928027D+01
                41            42            43            44            45 
      1  -0.227161D+01 -0.371769D+01 -0.380371D+01  0.170376D+01 -0.235510D+01
      2   0.681026D+00 -0.206530D+01 -0.140600D+01 -0.121631D+00 -0.423109D+00
      3  -0.564282D+00  0.251447D+01  0.768669D+01  0.126537D+01  0.449274D+01
                46            47            48            49            50 
      1  -0.284368D+00  0.249191D+01 -0.129624D+01  0.554806D+01  0.414704D+00
      2  -0.295428D+01 -0.351772D+01  0.860181D+01 -0.451385D+01 -0.297179D+01
      3  -0.110868D+02 -0.304204D+01  0.218711D+01  0.657711D+01  0.123854D+01
                51            52            53            54            55 
      1  -0.222764D+01  0.279068D+01  0.280145D+01  0.801244D+00 -0.181057D+01
      2   0.472552D+01 -0.571196D+01  0.460015D+00 -0.875863D+00  0.517021D+01
      3  -0.784332D+00  0.840958D+01  0.651049D+00 -0.175963D+01 -0.153468D+02
                56            57            58            59            60 
      1   0.188228D+00  0.109755D+00 -0.225495D+00 -0.679423D+01 -0.292292D+01
      2  -0.133198D+01  0.287411D+00 -0.373020D+01  0.636481D+01  0.386386D+01
      3   0.614500D+01  0.166864D+01  0.286188D+02  0.140222D+02 -0.180862D+01
                61            62            63            64            65 
      1   0.130851D+01  0.242194D+01  0.691473D+01  0.190356D+01 -0.395220D+00
      2  -0.204738D+02  0.316346D+01 -0.211964D+02 -0.111094D+02  0.213278D+01
      3   0.956771D+01 -0.687229D+01 -0.547891D+01  0.255836D+02 -0.128321D+02
                66            67            68            69            70 
      1   0.893852D+00  0.125506D+01 -0.880268D+00 -0.269989D+01 -0.129735D+01
      2   0.117368D+02  0.449760D+01 -0.537002D+01 -0.685588D+01  0.113272D+02
      3  -0.208985D+01 -0.123312D+02 -0.196870D+02  0.336945D+01 -0.867165D+01
                71            72            73            74            75 
      1   0.392608D+01  0.166728D+01 -0.107177D+01 -0.348465D+00  0.133656D+01
      2  -0.948724D+01  0.355715D+02  0.147984D+02 -0.354680D+01 -0.145002D+02
      3   0.683630D+01  0.956606D+01 -0.199524D+02  0.111075D+02  0.489635D+01
                76            77            78            79            80 
      1  -0.919914D+00 -0.182025D+01 -0.211282D+01  0.230014D+01  0.142478D+01
      2  -0.536104D+01  0.139760D+02  0.855578D+01 -0.305668D+02  0.713912D+01
      3   0.289228D+02  0.336925D+02 -0.132940D+02  0.644127D+01 -0.140568D+02
                81            82            83            84            85 
      1   0.216866D+01  0.522295D+01 -0.185918D+01 -0.423148D+01 -0.185890D+01
      2  -0.291951D+02  0.104143D+02 -0.401707D+01 -0.547623D+01 -0.443326D+01
      3  -0.103446D+02 -0.283163D+02 -0.450428D+01 -0.209240D+01  0.131075D+01
                86            87            88            89            90 
      1   0.533566D+01  0.358453D+01 -0.637301D+01  0.999335D+01 -0.969119D+01
      2   0.581002D+01  0.881057D+01 -0.132988D+02  0.123416D+02 -0.191026D+02
      3   0.140318D+02 -0.425441D+01 -0.179143D+01 -0.710122D+01 -0.889467D+01
                91            92            93            94            95 
      1  -0.145746D+01 -0.198421D+01  0.972714D+00 -0.424650D+01 -0.196886D+01
      2   0.877300D+01 -0.200206D+01 -0.378497D+00 -0.839376D+01 -0.458328D+01
      3  -0.675795D+01  0.206359D+01  0.206597D+01  0.232847D+02  0.109518D+02
                96            97            98            99           100 
      1  -0.691968D+01  0.368336D+01  0.180927D+01  0.402636D+01  0.177625D+01
      2   0.877498D+01 -0.237446D+02  0.101046D+02 -0.451340D+01 -0.169437D+02
      3   0.850766D+01  0.870212D+01  0.491360D+01 -0.106907D+02  0.153283D+02
               101           102           103           104           105 
      1   0.650081D+01 -0.782952D+00  0.301432D+01  0.511573D+01  0.104850D+01
      2   0.641281D+01  0.557813D+01  0.835990D+01  0.222125D+01 -0.917872D+01
      3  -0.581255D+01 -0.471244D+01  0.513563D+00 -0.308542D+01 -0.511359D+01
               106           107           108           109           110 
      1  -0.309961D+01  0.102478D+01 -0.234867D+01 -0.196075D+01 -0.411724D+01
      2  -0.554939D+01 -0.848765D+01  0.172157D+02 -0.589032D+01 -0.347940D+01
      3  -0.224953D+01 -0.114792D+02  0.796529D+01 -0.105142D+02 -0.798182D+01
               111           112           113           114           115 
      1  -0.743973D+00 -0.893173D+00 -0.574354D+01 -0.261939D+01  0.865244D-01
      2   0.797501D+01 -0.632028D+01 -0.897135D+01  0.102273D+02  0.949003D+01
      3   0.387466D+01 -0.187920D+01 -0.165486D+02  0.784163D+01 -0.282567D+01
               116           117           118           119           120 
      1   0.755687D+01 -0.150234D-02  0.333712D+01 -0.157600D+01 -0.865570D+00
      2   0.100048D+02 -0.302010D+02  0.974112D+01 -0.669450D+01 -0.315757D+01
      3   0.143780D+02 -0.898928D+01  0.641572D+00  0.236280D+01  0.309848D+01
               121           122           123           124           125 
      1   0.123041D+01  0.166937D+01 -0.594482D+01 -0.350625D+01  0.305264D+01
      2  -0.103067D+01  0.465452D+01  0.420662D+00 -0.696735D+01  0.151423D+01
      3   0.196486D+01  0.185478D+02 -0.419592D+01  0.654235D+01 -0.861685D+01
               126           127           128           129           130 
      1   0.578598D+01  0.329575D+00 -0.194403D+01 -0.915740D+00  0.697900D+00
      2   0.110782D+02  0.552665D+01  0.142838D+01 -0.236442D+00  0.176205D+01
      3   0.111927D+01  0.447898D+01 -0.230686D+00 -0.115102D+01  0.413720D+01
               131           132           133           134           135 
      1  -0.426003D+00 -0.318331D+01 -0.674865D+00  0.176349D+01  0.192226D+01
      2   0.511208D+00  0.477842D+00 -0.279569D+01  0.361246D-01 -0.165500D+01
      3  -0.116351D+01 -0.494964D+00 -0.162546D+01  0.161874D+01  0.575728D-01
               136           137           138           139           140 
      1   0.142246D+01  0.102789D+01  0.218630D+01 -0.508969D+00 -0.742639D+00
      2  -0.356286D+01  0.342147D+00 -0.820262D+00  0.476615D+00  0.595129D-01
      3  -0.316724D+01 -0.344572D+00 -0.180381D+01  0.170336D+01  0.671728D+00
               141           142           143           144           145 
      1  -0.284696D+01  0.558649D+00  0.313958D+01  0.234485D+01 -0.114308D+01
      2  -0.123746D+01 -0.448642D+01  0.204839D+00  0.870002D+00  0.723664D+01
      3   0.549067D+00 -0.234168D+01 -0.759782D+00 -0.159222D+01  0.365599D+01
               146           147           148           149           150 
      1  -0.254096D+01 -0.294624D+00 -0.873517D+00 -0.141406D+01 -0.181164D+01
      2   0.156326D+01 -0.764336D+00  0.268187D+01  0.777575D+00  0.469526D+00
      3  -0.727957D+00 -0.717432D+00  0.264507D+01 -0.942656D+00 -0.152958D-01
               151           152           153           154           155 
      1   0.411673D+00  0.273920D+01  0.437191D+00 -0.216894D+00  0.131576D+01
      2  -0.246000D+01 -0.438751D+00 -0.119621D+01 -0.396298D+01  0.493827D+00
      3  -0.558045D+00  0.201130D+01 -0.236663D+00 -0.134333D+01 -0.485412D+00
               156           157           158           159           160 
      1   0.573171D+00  0.157834D+00 -0.124093D+01 -0.102594D+01 -0.164312D+01
      2  -0.735714D+00  0.300265D+00  0.159011D+00 -0.134834D+01 -0.527027D+01
      3  -0.341161D+00  0.125546D+01  0.651143D+00 -0.165178D+00 -0.717762D+00
               161           162           163           164           165 
      1   0.456337D+01 -0.123679D+01  0.125760D+01  0.112410D+01 -0.982195D+00
      2   0.379142D+00  0.166024D+01 -0.359196D+01 -0.654736D+00  0.220088D+01
      3  -0.139733D+01  0.102646D+00 -0.151861D+01 -0.489288D+01 -0.764428D+00
               166           167           168           169           170 
      1   0.158328D+01  0.591178D+01 -0.308411D+01 -0.104993D+01 -0.991839D+00
      2  -0.141114D+01 -0.238973D+01  0.259331D+01  0.178217D+01  0.275367D+01
      3  -0.273649D+01 -0.236076D+02 -0.118669D+01 -0.235899D+01  0.326967D+01
               171           172           173           174           175 
      1   0.123425D+00 -0.175206D+01  0.515386D+00 -0.104800D+01 -0.116732D+00
      2   0.114507D+01  0.481629D+01  0.605647D+00  0.442610D+01  0.104730D+01
      3  -0.165484D+01  0.285040D+01 -0.264847D+01  0.898705D+00 -0.210439D+01
               176           177           178           179           180 
      1  -0.507474D+00  0.251260D+00 -0.195757D+01  0.296743D+01 -0.771565D+01
      2   0.175133D+01 -0.265457D+01  0.693358D+00  0.200688D+01  0.215309D+02
      3  -0.689420D+00 -0.240382D+01  0.209216D+01 -0.335034D+01  0.930916D+00
               181           182           183           184           185 
      1  -0.137959D+01  0.787442D+00 -0.256102D+00  0.297512D+00 -0.227136D+00
      2  -0.695481D+01  0.625689D+00 -0.339729D+01  0.205948D+01 -0.434865D+01
      3  -0.437578D+01  0.123942D+01 -0.337930D+00  0.389300D+01  0.198910D+00
               186           187           188           189           190 
      1  -0.549130D+00 -0.703443D+00  0.342998D+01 -0.129087D+01  0.176753D+00
      2   0.409653D+01 -0.782160D+01  0.417925D+01 -0.319840D+02 -0.310575D+01
      3   0.402221D+01 -0.787513D+00  0.462329D+01 -0.396973D+01 -0.733789D+01
               191           192           193           194           195 
      1   0.132112D+00 -0.686838D+00  0.215211D+00  0.303517D+00 -0.337117D+01
      2  -0.991606D+00  0.331668D+01 -0.165445D+01 -0.727840D+01  0.708222D+01
      3  -0.806858D+01  0.696171D+00 -0.133551D+02 -0.454834D+02  0.664559D+01
               196           197           198           199           200 
      1  -0.558927D+00  0.417454D+00  0.413336D+00 -0.724731D+00  0.549894D+00
      2   0.488683D+01  0.574117D+01 -0.139792D+01  0.754621D+01  0.169192D+00
      3   0.173662D+01  0.847886D+01 -0.486745D+01  0.308322D+01 -0.360912D+01
               201           202           203           204           205 
      1  -0.901901D+00  0.232044D+00 -0.417441D+00 -0.423987D+00 -0.120511D+01
      2   0.982706D+01 -0.915576D+00  0.354525D+01 -0.430382D+01  0.151952D+02
      3   0.592083D+00 -0.447098D+01 -0.101981D+01 -0.369736D+01  0.452072D+00
               206           207           208           209           210 
      1   0.307083D+01 -0.287141D+01  0.911635D+00 -0.977671D+00  0.115970D-02
      2  -0.152178D+01  0.391944D+02 -0.135526D+02  0.417404D+01  0.123982D+02
      3  -0.681061D+01  0.345701D+01  0.145658D+02 -0.117347D+02 -0.540710D+01
               211           212           213           214           215 
      1  -0.444011D+00  0.106152D+01 -0.603665D+00 -0.638316D+00  0.186371D+01
      2   0.650649D+01 -0.699881D+01 -0.885187D+01  0.146325D+02 -0.619071D+01
      3  -0.138762D+02  0.102282D+02  0.760627D+01 -0.719349D+01  0.984205D+01
               216           217           218           219           220 
      1   0.147161D+00 -0.381782D+01  0.174558D+01  0.449608D+01  0.278526D+01
      2  -0.110946D+02 -0.671793D+01  0.444734D+01  0.728147D+01  0.402581D+01
      3   0.733912D+01  0.494085D+01 -0.910093D+01 -0.110290D+01 -0.395929D+01
               221           222           223           224           225 
      1  -0.309825D+01 -0.456284D+01  0.428465D+01 -0.254857D+01 -0.407155D+01
      2  -0.702546D+01 -0.658208D+01  0.634969D+01 -0.826847D+01 -0.744050D+01
      3   0.126161D+02  0.480751D+01 -0.121797D+01  0.919525D+01  0.513258D+01
               226           227           228           229           230 
      1   0.164445D+01 -0.990911D-01  0.221406D+01 -0.535894D+00  0.158317D+01
      2   0.340583D+01 -0.100625D+01  0.452471D+01 -0.370048D+00  0.382648D+01
      3   0.405192D+01 -0.234283D+01 -0.419838D-01  0.261449D+00  0.364426D+01
               231           232           233           234           235 
      1  -0.387353D+01  0.273676D+01 -0.138114D+01  0.137545D+02 -0.139923D+01
      2  -0.421423D+01  0.182392D+01 -0.867050D+01  0.240437D+02 -0.440189D+01
      3  -0.363299D+01 -0.126291D+01 -0.913251D+01  0.755790D+01  0.270786D+02
               236           237           238           239           240 
      1  -0.147592D+00 -0.245429D+01 -0.176273D+00 -0.886332D+00 -0.194762D+01
      2  -0.847047D+00 -0.119834D+01 -0.568042D+00 -0.183619D+01 -0.116323D+01
      3   0.972869D+01  0.367259D+01  0.105012D+02  0.687002D+01  0.257766D+01
               241           242           243           244           245 
      1  -0.207793D+01 -0.247649D+00 -0.641059D-01 -0.198919D+01  0.887852D+00
      2  -0.443433D+01 -0.277151D+01 -0.362502D+00  0.444792D+01  0.518501D+00
      3   0.348396D+01  0.365279D+01  0.438779D+01  0.411720D+01 -0.233248D+01
               246           247           248           249           250 
      1  -0.703050D+00  0.704743D+00 -0.295992D+01  0.699616D+00 -0.114919D+01
      2   0.333490D+01  0.139021D+01  0.427932D+01 -0.569718D+01  0.194556D+01
      3   0.121250D+01 -0.563536D+00  0.478317D+01 -0.495060D+01  0.310971D+00
               251           252           253           254           255 
      1   0.442334D+01 -0.267201D+01  0.394268D+01  0.133262D+01 -0.510990D+01
      2  -0.529276D+01  0.143574D+02 -0.592466D+01  0.464449D+01  0.127874D+02
      3  -0.634655D+01  0.599778D+01 -0.355822D+01 -0.146629D+02 -0.984954D+01
               256           257           258           259           260 
      1   0.298834D+01 -0.937175D-01  0.766584D+01 -0.270638D+01  0.132116D+02
      2   0.264763D+01  0.451423D+01 -0.951004D+01  0.867465D+01 -0.117404D+02
      3  -0.140490D+02 -0.974377D+01 -0.723715D+01 -0.817987D+01 -0.449090D+01
               261           262           263           264           265 
      1  -0.367635D+01 -0.246171D+01  0.113794D+01  0.280406D+01  0.195675D+01
      2  -0.135447D+01 -0.583203D+01  0.497405D+01  0.620171D+01  0.322156D+01
      3   0.146339D+02  0.471983D+01 -0.673069D+01 -0.213209D+01 -0.355838D+01
               266           267           268           269           270 
      1  -0.186515D+01 -0.225027D+01  0.355358D+01 -0.180353D+01 -0.457069D+01
      2  -0.460359D+01 -0.482410D+01  0.880210D+01 -0.864791D+01 -0.121386D+02
      3   0.821922D+01  0.305227D+01 -0.520562D+01  0.957233D+01  0.586642D+01
               271           272           273           274           275 
      1  -0.265037D+01 -0.991314D+00  0.408846D+01 -0.487039D+00 -0.567558D+00
      2   0.908395D+01 -0.519255D+01 -0.816655D+01 -0.240836D+01  0.530714D+01
      3  -0.904905D+01  0.751910D+01  0.784356D+01  0.571263D+01 -0.690150D+01
               276           277           278           279           280 
      1  -0.312832D+01  0.273377D+01 -0.808101D+00 -0.606098D+01  0.252154D+01
      2   0.530805D+01 -0.817541D+01  0.842400D+01  0.139315D+02 -0.208436D+01
      3  -0.544535D+01  0.644923D+01 -0.768350D+01 -0.114208D+02 -0.330892D+01
               281           282           283           284           285 
      1  -0.850904D+00  0.198308D+01 -0.142040D+00  0.711311D+01 -0.727365D+01
      2  -0.247602D+00 -0.136595D+01 -0.835002D+00 -0.542108D+01  0.544742D+01
      3   0.281719D+01 -0.150979D+01  0.293777D+01 -0.942658D+01  0.572024D+01
               286           287           288           289           290 
      1   0.141074D+01 -0.535961D+01  0.112362D+02 -0.145680D+01  0.183998D+01
      2  -0.275185D+01  0.571401D+01 -0.941877D+01 -0.208537D+01  0.145657D+00
      3  -0.294479D+01  0.994155D+01 -0.695254D+01  0.794002D+01 -0.553700D+01
               291           292           293           294           295 
      1  -0.305944D+01  0.796091D+00  0.612294D+00 -0.201191D+01 -0.260427D+01
      2   0.501436D+01 -0.470754D-01 -0.524008D+00  0.217717D+01  0.223079D+01
      3   0.148525D+01 -0.825700D+00 -0.121371D+01 -0.740738D-01  0.200937D+01
               296           297 
      1  -0.641620D+00 -0.126962D+01
      2   0.271045D+01  0.312966D+01
      3  -0.131027D+01 -0.879105D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.943842D+01 -0.117465D+02  0.209721D+02  0.139087D+02 -0.137279D+02
      2  -0.348610D+01  0.382671D+01 -0.266996D+01 -0.870089D+00  0.214941D+02
      3   0.129245D+02  0.791975D+01 -0.183021D+02 -0.130386D+02 -0.776618D+01
      4  -0.103495D+02 -0.614410D+01  0.849277D+01  0.156161D+01 -0.441372D-01
      5   0.101554D+02  0.623745D+01  0.400906D+01  0.818522D+01  0.305166D+01
      6   0.568588D+01 -0.300110D+01  0.325732D+01  0.630359D+01  0.904894D+00
                 6             7             8             9            10 
      1   0.231869D+01 -0.355542D+02 -0.139024D+02  0.853624D+01  0.524562D+02
      2  -0.443464D+01  0.116097D+02  0.682992D+01 -0.962274D+01 -0.203013D+02
      3   0.211596D+01  0.239445D+02  0.707246D+01  0.108650D+01 -0.321549D+02
      4   0.347386D+01 -0.361831D+01  0.233370D+00 -0.534546D+01  0.154681D+00
      5  -0.698085D+01  0.762005D+01 -0.679683D+01  0.310764D+01  0.292025D+01
      6   0.492143D+00 -0.113249D+02 -0.696542D+01  0.791692D+01  0.197708D+01
                11            12            13            14            15 
      1  -0.480715D+00  0.435077D+01 -0.748653D+01 -0.630349D+01  0.891819D+01
      2   0.256145D+01 -0.468688D+01  0.430573D+01  0.650850D+01 -0.396679D+01
      3  -0.208073D+01  0.336104D+00  0.318079D+01 -0.205003D+00 -0.495140D+01
      4   0.279076D+01 -0.409188D+01  0.830082D+01  0.257197D+01  0.809311D+00
      5  -0.410177D+01  0.380168D+01  0.133991D+02 -0.297926D+00  0.156288D+01
      6  -0.110906D+01  0.339657D+01  0.419441D+01  0.356396D+01  0.113630D+02
                16            17            18            19            20 
      1   0.880481D+01  0.115007D+02 -0.156755D+02  0.136746D+02  0.191661D+02
      2   0.281811D+01  0.491818D+01  0.384845D+01  0.333034D+01 -0.142048D+02
      3  -0.116229D+02 -0.164189D+02  0.118271D+02 -0.170049D+02 -0.496133D+01
      4   0.191516D+02  0.144577D+01 -0.109329D+01  0.404438D+01  0.358195D+01
      5  -0.945416D+01  0.567102D-01  0.291293D+01 -0.149825D+02  0.172790D+01
      6   0.485949D+01  0.588215D+01 -0.529248D+01 -0.241710D+01  0.473793D+01
                21            22            23            24            25 
      1  -0.182712D+02 -0.878820D+01 -0.210654D+01 -0.162101D+02  0.147091D+02
      2   0.119520D+02  0.125510D+01  0.112122D+02 -0.522628D+01 -0.416764D+01
      3   0.631920D+01  0.753310D+01 -0.910569D+01  0.214364D+02 -0.105415D+02
      4  -0.101622D+00  0.120652D+02 -0.602053D+01 -0.806242D+00  0.229198D+01
      5  -0.111513D+02 -0.336988D+01 -0.698040D+00 -0.250804D+00  0.788061D+01
      6  -0.654771D+01 -0.337769D+01 -0.244202D+01  0.265301D+00  0.125971D+02
                26            27            28            29            30 
      1  -0.743218D+01  0.200515D+01  0.596887D+01  0.250592D+01  0.480091D+00
      2  -0.138974D+01 -0.287582D+01 -0.536764D-01 -0.218064D+01 -0.300240D+01
      3   0.882193D+01  0.870678D+00 -0.591519D+01 -0.325281D+00  0.252231D+01
      4  -0.229505D+01  0.849262D+01  0.244176D+01  0.549934D+01 -0.146224D+01
      5   0.792765D+01 -0.627836D+01  0.738102D+01 -0.869455D+00  0.649266D+01
      6   0.191433D+01  0.131609D+02  0.652915D+01  0.272676D+01 -0.798946D+00
                31            32            33            34            35 
      1  -0.107124D+02 -0.864115D+01  0.102790D+02  0.790997D+00  0.129958D+02
      2  -0.831253D+00  0.251100D+01 -0.445082D+01  0.517253D+01  0.349320D+01
      3   0.115436D+02  0.613015D+01 -0.582817D+01 -0.596353D+01 -0.164890D+02
      4   0.781886D+01  0.270848D+01  0.272224D+01  0.207845D+02  0.335456D+01
      5   0.180486D+02  0.347954D+01  0.113878D+01 -0.619897D+01 -0.335550D+01
      6   0.307263D+01  0.484610D+01  0.103794D+02  0.221305D+01  0.595433D+01
                36            37            38            39            40 
      1  -0.173667D+02  0.192067D+01 -0.899325D+01  0.229922D+02  0.113454D+02
      2   0.430539D+01 -0.849846D+01  0.202902D+01 -0.536729D+01  0.617948D+00
      3   0.130613D+02  0.657779D+01  0.696424D+01 -0.176249D+02 -0.119633D+02
      4  -0.362666D+01 -0.133790D+02 -0.548116D+01  0.581254D+01  0.516205D+01
      5  -0.145777D+01  0.107398D+02  0.356065D+01  0.441727D+01  0.435065D+01
      6  -0.718307D+01  0.438456D+01 -0.371458D+01 -0.130194D+01  0.356566D+01
                41            42            43            44            45 
      1  -0.583284D+01 -0.117055D+01 -0.200329D+02 -0.115133D+02  0.104935D+02
      2   0.121742D+02 -0.159649D+01  0.307347D+01  0.255721D+01 -0.829305D+01
      3  -0.634138D+01  0.276704D+01  0.169595D+02  0.895606D+01 -0.220045D+01
      4   0.246627D+00  0.954937D+00 -0.739273D+01 -0.409207D+01 -0.582060D+01
      5   0.261722D+01 -0.781667D+01  0.882110D+01 -0.542394D+01  0.189923D+01
      6   0.266454D+01  0.236746D+01 -0.126000D+02 -0.450433D+01  0.817670D+01
                46            47            48            49            50 
      1  -0.284547D+01  0.116454D+02 -0.162112D+02 -0.213174D+02  0.288561D+01
      2   0.100895D+02 -0.620182D+01  0.995308D+01  0.779492D+01  0.450109D+01
      3  -0.724403D+01 -0.544358D+01  0.625812D+01  0.135224D+02 -0.738671D+01
      4   0.840787D+01  0.754764D+01 -0.127446D+01  0.134118D+02 -0.424247D+01
      5  -0.146414D+02  0.116234D+01 -0.885003D+01 -0.748036D+01 -0.521385D+00
      6   0.376624D+00  0.324775D+01 -0.573950D+01 -0.279458D+01  0.208634D+01
                51            52            53            54            55 
      1  -0.211765D+02  0.225926D+02 -0.669328D+01  0.645199D+00 -0.528730D+02
      2   0.255148D+00 -0.612290D+01 -0.101797D+01  0.425407D+00  0.195838D+02
      3   0.209213D+02 -0.164697D+02  0.771125D+01 -0.107061D+01  0.332892D+02
      4  -0.336388D-01  0.222561D+01 -0.131425D+01  0.540754D+01  0.996880D+01
      5   0.312713D-01  0.555917D+01  0.487234D+01 -0.620936D+01  0.696893D+01
      6   0.345202D+01  0.857151D+01  0.341676D+01  0.157657D+02  0.139204D+01
                56            57            58            59            60 
      1   0.126707D+02  0.612012D+01  0.441529D+02 -0.106142D+02 -0.582094D+01
      2  -0.879052D+01 -0.970315D+00 -0.321611D+02 -0.128816D+02  0.118672D+01
      3  -0.388014D+01 -0.514980D+01 -0.119918D+02  0.234958D+02  0.463423D+01
      4  -0.173690D+02 -0.244764D+01 -0.343538D+02 -0.424251D+02  0.256239D+01
      5  -0.254965D+01 -0.776136D+01 -0.582741D+01  0.392567D+01  0.712575D+01
      6  -0.192163D+01 -0.104477D+01 -0.364903D+01 -0.191325D+01  0.180283D+01
                61            62            63            64            65 
      1   0.417875D+02 -0.873263D+01 -0.251787D+01 -0.273230D+02 -0.372436D+02
      2  -0.121555D+02  0.617691D+01  0.145045D+02  0.195315D+02  0.155916D+02
      3  -0.296320D+02  0.255572D+01 -0.119866D+02  0.779153D+01  0.216520D+02
      4  -0.762089D+01  0.131761D+02  0.307821D+01 -0.404225D+02  0.157708D+02
      5  -0.208013D+02  0.340950D+01 -0.404458D+02 -0.151578D+02  0.397364D+01
      6  -0.203004D+01  0.598921D+00 -0.656225D+01  0.197582D+01  0.146347D+01
                66            67            68            69            70 
      1  -0.122662D+02 -0.748371D+02  0.295693D+02  0.415687D+00 -0.467239D+02
      2   0.826043D+01  0.382400D+02 -0.176502D+02 -0.207972D+00  0.199025D+02
      3   0.400581D+01  0.365971D+02 -0.119191D+02 -0.207716D+00  0.268215D+02
      4   0.372448D+01  0.267402D+02  0.401296D+02 -0.678346D+01  0.602922D+01
      5   0.166883D+02  0.645471D+01 -0.797876D+01 -0.138008D+02  0.335840D+02
      6  -0.455157D+00 -0.124972D+01  0.270838D+01 -0.616813D+00 -0.138039D+01
                71            72            73            74            75 
      1   0.216276D+01  0.299167D+02  0.297924D+02  0.445876D+02  0.271569D+02
      2  -0.148263D+01 -0.725207D+01 -0.134018D+02 -0.255027D+02 -0.125265D+02
      3  -0.680126D+00 -0.226646D+02 -0.163906D+02 -0.190849D+02 -0.146304D+02
      4  -0.130555D+02 -0.155025D+02  0.451719D+02 -0.201445D+02 -0.729844D+01
      5  -0.150288D+02  0.623395D+02  0.300148D+02 -0.823953D+01 -0.322689D+02
      6   0.475321D+01  0.573711D+00 -0.230753D+00  0.142469D+01 -0.291444D+00
                76            77            78            79            80 
      1   0.619369D+02 -0.302658D+02 -0.125034D+02  0.447480D+02 -0.102643D+02
      2  -0.371008D+02  0.609637D+01  0.811349D+01 -0.187258D+02  0.730912D+01
      3  -0.248361D+02  0.241695D+02  0.438996D+01 -0.260222D+02  0.295523D+01
      4  -0.389587D+02 -0.633471D+02  0.251669D+02 -0.905192D+01  0.256404D+02
      5  -0.120598D+02  0.276481D+02  0.186552D+02 -0.533649D+02  0.154735D+02
      6   0.389538D+01  0.405941D+01 -0.883127D+00  0.250346D+00 -0.143397D+01
                81            82            83            84            85 
      1  -0.429810D+02  0.399888D+02  0.297524D+02  0.211334D+02  0.333242D+02
      2   0.287618D+02 -0.312663D+02 -0.914136D+01 -0.845485D+01 -0.120682D+02
      3   0.142192D+02 -0.872251D+01 -0.206110D+02 -0.126785D+02 -0.212560D+02
      4   0.156645D+02  0.275634D+02 -0.276868D+02 -0.142512D+02 -0.315258D+02
      5  -0.558860D+02  0.210763D+02 -0.101197D+02 -0.158922D+02 -0.959370D+01
      6  -0.296811D+01 -0.136246D+02  0.344000D+01  0.879517D+01  0.507288D+01
                86            87            88            89            90 
      1  -0.282404D+02 -0.285221D+01  0.283221D+02 -0.658505D+01 -0.996195D+01
      2   0.215571D+02 -0.440209D+01 -0.862274D+01 -0.366096D+01  0.370346D+01
      3   0.668329D+01  0.725430D+01 -0.196994D+02  0.102460D+02  0.625849D+01
      4  -0.134511D+02  0.134453D+02 -0.156779D+02  0.221761D+02  0.313267D+02
      5   0.132311D+02  0.189399D+02 -0.251040D+02  0.268571D+02 -0.382050D+02
      6  -0.101538D+02 -0.951053D+01  0.120749D+02 -0.140419D+02  0.177644D+02
                91            92            93            94            95 
      1   0.973869D+01  0.160686D+02  0.930497D+01  0.163673D+02 -0.103992D+01
      2  -0.546612D+01 -0.118004D+02 -0.174663D+01 -0.179359D+02 -0.501739D+01
      3  -0.427257D+01 -0.426818D+01 -0.755834D+01  0.156862D+01  0.605731D+01
      4   0.119557D+02 -0.941179D+01 -0.267207D+01 -0.311723D+02 -0.227659D+02
      5   0.596482D+01 -0.276360D+01 -0.813314D+01 -0.144947D+02 -0.165856D+02
      6   0.164001D+01 -0.434433D+01 -0.187405D+01 -0.109578D+02 -0.980291D+01
                96            97            98            99           100 
      1  -0.595027D+01  0.222526D+02 -0.811780D+01 -0.101840D+02 -0.445735D+01
      2  -0.723928D+01 -0.763254D+01 -0.518959D+01  0.132862D+02  0.292026D+01
      3   0.131895D+02 -0.146201D+02  0.133074D+02 -0.310217D+01  0.153709D+01
      4  -0.159699D+02 -0.135595D+02 -0.687911D+01  0.196840D+02 -0.108329D+02
      5   0.143207D+02 -0.203841D+02  0.202167D+02 -0.158273D+02  0.119970D+02
      6  -0.798714D+01  0.143048D+01 -0.153996D+01  0.611478D+01  0.296287D+01
               101           102           103           104           105 
      1  -0.113771D+02  0.215099D+01 -0.167164D+02  0.658210D-01  0.168497D+02
      2   0.110109D+02 -0.648965D+01  0.177974D+02 -0.715303D+01 -0.163056D+02
      3   0.366195D+00  0.433866D+01 -0.108096D+01  0.708721D+01 -0.544106D+00
      4  -0.452816D+01  0.108746D+02 -0.738026D+01  0.627504D+01  0.153041D+01
      5   0.112013D+02 -0.787470D+00  0.269527D+02  0.184187D+01 -0.236832D+02
      6   0.378950D+01 -0.107017D+01 -0.531762D+00  0.350573D+01 -0.147428D+01
               106           107           108           109           110 
      1   0.208716D+02  0.152523D+02 -0.304285D+00  0.458445D+02  0.164512D+02
      2  -0.147272D+02 -0.954548D+01  0.861357D+01 -0.288577D+02 -0.101396D+02
      3  -0.614445D+01 -0.570681D+01 -0.830928D+01 -0.169868D+02 -0.631160D+01
      4   0.193640D+02  0.124572D+02 -0.220619D+02  0.203662D+02  0.192405D+02
      5  -0.936348D+01 -0.218233D+02  0.250164D+02 -0.343208D+02 -0.113726D+02
      6  -0.427570D+01 -0.401884D+01  0.371136D+01 -0.509013D+01 -0.417845D+01
               111           112           113           114           115 
      1  -0.236541D+02  0.288067D+02  0.727229D+01 -0.850084D+01 -0.386442D+02
      2   0.172095D+02 -0.162739D+02 -0.346518D+01  0.993488D+01  0.264566D+02
      3   0.644453D+01 -0.125328D+02 -0.380711D+01 -0.143404D+01  0.121876D+02
      4  -0.894793D+01  0.218920D+02  0.344457D+02 -0.172351D+02 -0.107922D+02
      5   0.228904D+02 -0.190534D+02 -0.177040D+02  0.229819D+02  0.412169D+02
      6   0.353394D+01 -0.579417D+01 -0.795517D+01  0.110104D+02  0.240425D+01
               116           117           118           119           120 
      1  -0.489660D+01  0.912229D+01  0.161939D+01 -0.702890D+01  0.144759D+02
      2   0.867985D+01 -0.285004D+02  0.156260D+01  0.244816D+01 -0.599919D+01
      3  -0.378325D+01  0.193781D+02 -0.318198D+01  0.458074D+01 -0.847671D+01
      4  -0.268923D+02  0.215073D+02 -0.102586D+01 -0.225876D+01 -0.160801D+02
      5   0.213025D+02 -0.614483D+02  0.193038D+02 -0.125005D+02 -0.763668D+01
      6   0.119048D+02 -0.880653D+01 -0.808781D+01  0.630631D+01  0.398916D+01
               121           122           123           124           125 
      1  -0.920142D+01 -0.109150D+02 -0.111148D+02  0.271891D+02 -0.177447D+02
      2  -0.140828D+01  0.281266D+02  0.527325D+01 -0.953087D+01  0.355151D+01
      3   0.106097D+02 -0.172116D+02  0.584159D+01 -0.176583D+02  0.141932D+02
      4   0.159450D+02 -0.381438D+02  0.126118D+02 -0.300882D+02  0.292627D+02
      5  -0.138077D+02  0.141782D+02  0.299588D+01 -0.996539D+01  0.469374D+01
      6   0.583833D+01 -0.194705D+01  0.420513D+01  0.660177D+01  0.229701D+01
               126           127           128           129           130 
      1  -0.112324D+02  0.195022D+01 -0.346246D+01  0.167563D+01 -0.924006D+00
      2   0.527811D+01  0.437315D+00  0.528671D+01 -0.487430D+00  0.154124D+01
      3   0.595425D+01 -0.238753D+01 -0.182425D+01 -0.118820D+01 -0.617232D+00
      4   0.690986D+01  0.109410D+02  0.928453D+01 -0.689770D+01  0.878053D+01
      5   0.242336D+02 -0.128191D+02 -0.786182D+01  0.101161D+02 -0.100283D+02
      6  -0.921447D+01 -0.874165D+01 -0.750256D+01  0.754170D+01 -0.819999D+01
               131           132           133           134           135 
      1  -0.869897D+01  0.790040D+01  0.421834D+01  0.105652D+02 -0.128721D+02
      2   0.824429D+01 -0.318901D+01 -0.658831D+00 -0.668692D+01  0.190231D+01
      3   0.454684D+00 -0.471139D+01 -0.355951D+01 -0.387832D+01  0.109698D+02
      4   0.106707D+02 -0.729204D+01 -0.744554D+01 -0.753536D+01  0.802951D+01
      5  -0.897685D+01  0.100744D+02  0.109639D+02  0.916516D+01 -0.145188D+02
      6  -0.123233D+02  0.117416D+02  0.893625D+01  0.136246D+02 -0.156351D+02
               136           137           138           139           140 
      1  -0.286969D+01  0.198029D+01 -0.587446D+01  0.367489D+01 -0.774700D+01
      2  -0.328532D+01  0.154203D+00 -0.391221D+01  0.207182D+00  0.198562D+01
      3   0.615501D+01 -0.213449D+01  0.978667D+01 -0.388207D+01  0.576138D+01
      4  -0.489614D+01  0.404720D+01 -0.532056D+01  0.317939D+01 -0.357374D+01
      5   0.895404D+01 -0.377340D+01  0.111792D+02 -0.391151D+01  0.322548D+01
      6  -0.504450D+01  0.349290D+01 -0.517230D+01  0.381208D+01 -0.829026D+01
               141           142           143           144           145 
      1   0.126438D+02 -0.756043D+01  0.121569D+02 -0.276060D+02  0.554536D+01
      2   0.609627D+00 -0.219236D+01 -0.217051D+01 -0.617730D+01 -0.314182D+01
      3  -0.132534D+02  0.975279D+01 -0.998636D+01  0.337833D+02 -0.240354D+01
      4   0.427408D+01 -0.612932D+01  0.652676D+01 -0.952245D+01  0.501175D+01
      5  -0.466291D+01  0.103829D+02 -0.576687D+01  0.157323D+02 -0.106294D+02
      6   0.112703D+02 -0.784493D+01  0.130517D+02 -0.209164D+02 -0.362578D+01
               146           147           148           149           150 
      1  -0.135365D+01  0.723946D+00 -0.260004D+01 -0.550621D+01  0.616094D+01
      2   0.172903D+01  0.126084D+01  0.712674D+00  0.390216D+01 -0.553830D+00
      3  -0.375382D+00 -0.198479D+01  0.188736D+01  0.160405D+01 -0.560711D+01
      4   0.502894D+01 -0.290528D+01  0.498191D+01  0.563609D+01 -0.334443D+01
      5  -0.405727D+01  0.749793D+01 -0.643229D+01 -0.574672D+01  0.746884D+01
      6  -0.329154D+01  0.354567D+01 -0.430228D+01 -0.686115D+01  0.658178D+01
               151           152           153           154           155 
      1   0.344195D+01  0.639190D+01 -0.101114D+02 -0.876013D+00  0.428643D+00
      2   0.842094D+00 -0.275602D+01 -0.141437D+01 -0.424541D+01  0.113970D+01
      3  -0.428404D+01 -0.363588D+01  0.115258D+02  0.512142D+01 -0.156835D+01
      4  -0.457957D+01 -0.413040D+01  0.371773D+01 -0.303530D+01  0.273385D+01
      5   0.904484D+01  0.554149D+01 -0.116485D+02  0.762128D+01 -0.294604D+01
      6   0.524533D+01  0.768483D+01 -0.948474D+01 -0.207610D+01  0.210232D+01
               156           157           158           159           160 
      1  -0.354206D+01  0.304891D+01 -0.574286D+01  0.100455D+02 -0.259325D+01
      2  -0.489439D+01  0.132524D+00  0.619957D+00  0.210057D+01 -0.514939D+01
      3   0.843645D+01 -0.318144D+01  0.512290D+01 -0.121461D+02  0.774264D+01
      4  -0.334821D+01  0.240166D+01 -0.252553D+01  0.343791D+01 -0.527551D+01
      5   0.974735D+01 -0.300919D+01  0.303895D+01 -0.379371D+01  0.101512D+02
      6  -0.141038D+01  0.258511D+01 -0.512607D+01  0.641610D+01 -0.384196D+01
               161           162           163           164           165 
      1   0.699784D+01 -0.226622D+02  0.145987D+02  0.715944D+01 -0.226418D+01
      2   0.531161D+00 -0.102136D+02 -0.953128D+00  0.258510D+00  0.793166D+00
      3  -0.752900D+01  0.328759D+02 -0.136456D+02 -0.741795D+01  0.147101D+01
      4   0.525168D+01 -0.697332D+01  0.145678D+02  0.183907D+02  0.164710D+01
      5  -0.451430D+01  0.158021D+02 -0.185613D+01  0.213536D+01  0.374897D+01
      6   0.792946D+01 -0.112961D+02  0.781877D+00  0.158200D+01  0.889826D+00
               166           167           168           169           170 
      1   0.115093D+02 -0.113304D+02 -0.147114D+00 -0.152000D+02  0.480003D+00
      2   0.436319D+01  0.337707D+02  0.526665D+00  0.450418D+01 -0.329055D+01
      3  -0.158725D+02 -0.224403D+02 -0.379551D+00  0.106958D+02  0.281054D+01
      4   0.287152D+02  0.575358D+02  0.292246D+01 -0.344994D+01 -0.782208D+01
      5   0.334075D+01  0.173481D+01  0.500405D+01  0.556208D+01  0.592649D+01
      6   0.312101D+01  0.725996D+01  0.545960D+01  0.193465D+01  0.552315D+01
               171           172           173           174           175 
      1  -0.141050D+01  0.546484D+01 -0.222208D+01  0.646136D+01 -0.108594D+02
      2   0.107761D+01 -0.739298D+01  0.140699D+01 -0.589523D+01  0.675111D+01
      3   0.332885D+00  0.192814D+01  0.815087D+00 -0.566136D+00  0.410831D+01
      4   0.608110D+01 -0.127764D+01  0.452209D+01  0.227059D+01  0.477782D+01
      5   0.178548D+01  0.114442D+02  0.145168D+01  0.138483D+02 -0.233210D+01
      6   0.172918D+00  0.973930D+00  0.123141D+01  0.150801D+01  0.975743D+00
               176           177           178           179           180 
      1  -0.791437D+00 -0.725721D+00  0.109536D+02 -0.221795D+01 -0.122762D+02
      2   0.725429D+00  0.230726D+01 -0.118317D+02  0.496396D+00 -0.158605D+02
      3   0.660080D-01 -0.158154D+01  0.878087D+00  0.172155D+01  0.281366D+02
      4   0.304039D+01  0.494618D+01  0.313662D+01  0.660908D+01  0.494984D+01
      5   0.504077D+01 -0.561934D+01  0.189589D+02  0.475233D+01  0.461777D+02
      6   0.466727D+00  0.397578D+01  0.359885D+01  0.573032D+01  0.112710D+02
               181           182           183           184           185 
      1  -0.201227D+01  0.682948D+01 -0.958164D+01  0.130997D+02 -0.799720D+01
      2  -0.269838D+01 -0.266689D+01  0.314917D+01 -0.630143D+01  0.362170D+01
      3   0.471065D+01 -0.416259D+01  0.643247D+01 -0.679826D+01  0.437550D+01
      4   0.717405D+01 -0.164276D+01 -0.557091D+00 -0.292225D+00 -0.944552D+00
      5  -0.744953D+01 -0.541552D+00 -0.251410D+00  0.913853D+00 -0.690076D+01
      6  -0.144391D+00  0.592603D-01 -0.126411D+00  0.574167D+00 -0.204676D+01
               186           187           188           189           190 
      1   0.207998D+01 -0.175418D+02  0.392605D+00 -0.219570D+02  0.137365D+02
      2   0.149532D+00  0.803779D+01  0.236152D+01 -0.903220D+01 -0.379955D+01
      3  -0.222951D+01  0.950404D+01 -0.275412D+01  0.309892D+02 -0.993697D+01
      4  -0.657546D+01 -0.679008D+00 -0.830603D+01  0.711489D+01  0.171659D+02
      5   0.667703D+01  0.305477D+00  0.705306D+01 -0.564673D+02 -0.648820D+01
      6   0.693207D+01 -0.249809D+00  0.364846D+01 -0.193248D+01 -0.132530D+01
               191           192           193           194           195 
      1   0.154101D+02 -0.611574D+01  0.331752D+02  0.209405D+02 -0.997912D+00
      2  -0.518727D+01  0.274971D+01 -0.109125D+02  0.754785D+01 -0.986239D+00
      3  -0.102228D+02  0.336603D+01 -0.222627D+02 -0.284884D+02  0.198415D+01
      4   0.209131D+02 -0.267308D+01  0.435394D+02  0.916877D+02 -0.134375D+02
      5  -0.269950D+01  0.677468D+01 -0.505097D+01 -0.150171D+02  0.133663D+02
      6  -0.624579D+00  0.630688D+00 -0.239032D+01 -0.488235D+01  0.602839D+01
               196           197           198           199           200 
      1  -0.130119D+02 -0.216074D+01  0.819810D+01  0.234208D+02 -0.479968D+01
      2   0.584491D+01 -0.614627D+00 -0.432330D+01 -0.151876D+02  0.289418D+01
      3   0.716698D+01  0.277537D+01 -0.387480D+01 -0.823321D+01  0.190550D+01
      4  -0.666185D+01 -0.166999D+02  0.110903D+02 -0.434494D+01  0.616647D+01
      5   0.144680D+02  0.119254D+02 -0.320189D+01  0.181791D+02  0.156018D+00
      6   0.237202D+01  0.631740D+01 -0.264989D+01  0.485224D+00  0.804203D-01
               201           202           203           204           205 
      1   0.165065D+02 -0.130834D+02  0.717917D+01 -0.133304D+01  0.396825D+02
      2  -0.104113D+02  0.775064D+01 -0.323430D+01  0.144176D+01 -0.255468D+02
      3  -0.609525D+01  0.533277D+01 -0.394487D+01 -0.108718D+00 -0.141358D+02
      4   0.356178D+00  0.121445D+02  0.299437D+01  0.782650D+01  0.240827D+01
      5   0.227093D+02 -0.324987D+01  0.744654D+01 -0.856740D+01  0.439887D+02
      6   0.105044D+01  0.150157D+01 -0.108241D+01  0.401783D+01  0.107192D+01
               206           207           208           209           210 
      1   0.258042D+01  0.261264D+02  0.966575D+02 -0.264392D+02 -0.307277D+02
      2  -0.956806D+00 -0.270108D+02 -0.506891D+02  0.136453D+02  0.169797D+02
      3  -0.162362D+01  0.884398D+00 -0.459684D+02  0.127939D+02  0.137480D+02
      4   0.127011D+02 -0.360938D+01 -0.272446D+02  0.202873D+02  0.917878D+01
      5  -0.272494D+01  0.785382D+02 -0.349858D+02  0.992258D+01  0.254524D+02
      6   0.431351D+01  0.332540D+01  0.152839D+01 -0.817198D+00 -0.308133D+00
               211           212           213           214           215 
      1  -0.560850D+02  0.240923D+02  0.134384D+02 -0.549028D+02  0.108255D+02
      2   0.286810D+02 -0.973354D+01 -0.775859D+01  0.304997D+02 -0.663637D+01
      3   0.274040D+02 -0.143588D+02 -0.567984D+01  0.244030D+02 -0.418908D+01
      4   0.314137D+02 -0.191230D+02 -0.147167D+02  0.130021D+02 -0.173970D+02
      5   0.175725D+02 -0.152212D+02 -0.175888D+02  0.392290D+02 -0.133142D+02
      6  -0.264633D+01  0.217323D+01  0.261696D+01 -0.169102D+01  0.294530D+01
               216           217           218           219           220 
      1   0.289490D+02  0.332254D+02 -0.189302D+02 -0.127999D+02 -0.161341D+02
      2  -0.196498D+02 -0.815951D+01 -0.661217D+00  0.431582D+01 -0.211922D+01
      3  -0.929915D+01 -0.250659D+02  0.195914D+02  0.848413D+01  0.182533D+02
      4  -0.126981D+02 -0.401159D+02  0.374062D+02  0.146960D+02  0.356018D+02
      5  -0.249174D+02 -0.188164D+02  0.116209D+02  0.155773D+02  0.112324D+02
      6   0.229290D+01  0.938014D+01 -0.693405D+01 -0.835279D+01 -0.749728D+01
               221           222           223           224           225 
      1   0.935599D+01  0.282564D+01 -0.191146D+02  0.501891D+01  0.775888D+01
      2   0.118520D+02  0.413939D+01  0.642766D+01  0.501041D+01 -0.263697D+01
      3  -0.212080D+02 -0.696503D+01  0.126870D+02 -0.100293D+02 -0.512191D+01
      4  -0.436911D+02 -0.176009D+02  0.230835D+02 -0.280323D+02 -0.216033D+02
      5  -0.163946D+02 -0.128826D+02  0.205397D+02 -0.189719D+02 -0.174772D+02
      6   0.115779D+02  0.966224D+01 -0.105159D+02  0.124667D+02  0.101148D+02
               226           227           228           229           230 
      1   0.242804D+01 -0.627024D+01  0.675940D+01 -0.385060D+01 -0.124486D+01
      2  -0.755985D+00  0.150103D+01 -0.420527D+01  0.120779D+00  0.323119D+01
      3  -0.167206D+01  0.476920D+01 -0.255413D+01  0.372983D+01 -0.198633D+01
      4  -0.950087D+01  0.997717D+01 -0.472316D+01  0.854410D+01 -0.106033D+02
      5   0.874769D+01 -0.310404D+01  0.120995D+02 -0.182433D+01  0.861951D+01
      6  -0.316890D+01  0.147579D+01 -0.435494D+01  0.211477D+01 -0.601026D+01
               231           232           233           234           235 
      1   0.353936D+01  0.114513D+02  0.575408D+01 -0.431255D+01 -0.570406D+02
      2  -0.412553D+01 -0.661325D+01 -0.672725D+01 -0.493917D+01  0.326328D+02
      3   0.586167D+00 -0.483803D+01  0.973175D+00  0.925172D+01  0.244077D+02
      4   0.896627D+01 -0.966306D+01  0.191002D+02 -0.216756D+02  0.900629D+01
      5  -0.906808D+01  0.163754D+02 -0.189675D+02  0.501267D+02 -0.523101D+01
      6   0.105404D+02 -0.711361D+01  0.140386D+02 -0.269093D+02  0.480802D+01
               236           237           238           239           240 
      1  -0.203393D+02 -0.100158D+02 -0.138608D+02 -0.155390D+02 -0.343191D+01
      2   0.178166D+02  0.543875D+01  0.126855D+02  0.140211D+02  0.334876D+01
      3   0.252272D+01  0.457704D+01  0.117535D+01  0.151794D+01  0.831447D-01
      4  -0.706704D+01  0.205969D+01 -0.165939D+00 -0.187518D+01 -0.195871D+01
      5  -0.606123D+00 -0.226914D+01 -0.850370D+00 -0.275822D+01 -0.293379D+01
      6   0.224838D+01  0.385522D+01  0.149380D+01  0.245546D+01  0.375540D+01
               241           242           243           244           245 
      1  -0.104595D+02 -0.517010D+01 -0.761591D+01  0.197564D+01 -0.590284D+01
      2   0.508869D+01  0.471320D+01  0.382786D+01 -0.605608D+01  0.417220D+01
      3   0.537084D+01  0.456892D+00  0.378804D+01  0.408045D+01  0.173064D+01
      4   0.177243D+01 -0.455890D+01 -0.444489D+01 -0.762311D+01  0.526922D+01
      5   0.394027D+00 -0.551934D+01  0.104814D+01  0.114882D+02 -0.320644D+01
      6   0.260806D+01  0.504971D+01  0.685567D+00 -0.377164D+01  0.121408D+01
               246           247           248           249           250 
      1   0.511598D+01 -0.842675D+01 -0.106468D+01  0.341210D+01  0.554718D+01
      2  -0.550041D+01  0.576730D+01 -0.178593D+01  0.337221D+01 -0.814589D+01
      3   0.384435D+00  0.265944D+01  0.285061D+01 -0.678432D+01  0.259871D+01
      4  -0.272072D+01  0.850799D+01 -0.976420D+01  0.992551D+01 -0.342546D+01
      5   0.124450D+02 -0.444551D+01  0.104605D+02 -0.136622D+02  0.181346D+02
      6  -0.104303D+01  0.298220D+01 -0.601290D+01  0.772982D+01 -0.192073D+01
               251           252           253           254           255 
      1   0.142562D+01 -0.511477D+01 -0.429878D+02 -0.340875D+02 -0.346582D+02
      2   0.525682D+01 -0.153828D+02  0.223635D+02  0.195919D+02  0.128734D+02
      3  -0.668244D+01  0.204976D+02  0.206242D+02  0.144956D+02  0.217848D+02
      4   0.120688D+02 -0.113350D+02 -0.436007D+02 -0.573820D+01 -0.120447D+02
      5  -0.112514D+02  0.356311D+02 -0.403502D+02 -0.766792D+01  0.146982D+01
      6   0.686301D+01 -0.650269D+01 -0.205154D+02  0.296786D+01  0.988391D+01
               256           257           258           259           260 
      1  -0.205269D+02 -0.187131D+01 -0.126455D+01 -0.328521D+02  0.159626D+00
      2   0.196738D+02  0.119304D+02  0.148344D+02  0.127762D+02  0.128554D+02
      3   0.853099D+00 -0.100591D+02 -0.135698D+02  0.200759D+02 -0.130151D+02
      4   0.117298D+02  0.261993D+02  0.149049D+02 -0.908817D+01  0.949379D+01
      5  -0.618122D+00  0.157474D+02 -0.118933D+02  0.447137D+01 -0.172244D+02
      6   0.904833D+01  0.136487D+02 -0.718523D+01  0.795757D+01 -0.140506D+02
               261           262           263           264           265 
      1   0.235057D+02  0.302348D+02 -0.170224D+02 -0.138372D+02 -0.100585D+02
      2  -0.207186D+02 -0.125355D+02  0.541006D+01  0.620975D+01  0.128403D+01
      3  -0.278707D+01 -0.176993D+02  0.116124D+02  0.762744D+01  0.877445D+01
      4  -0.104913D+02 -0.282826D+02  0.230910D+02  0.133444D+02  0.187046D+02
      5   0.626372D+01 -0.186413D+02  0.118234D+02  0.149667D+02  0.844860D+01
      6  -0.442898D+01  0.777096D+01 -0.547203D+01 -0.520685D+01 -0.452311D+01
               266           267           268           269           270 
      1   0.670205D+01  0.338041D+01 -0.225956D+02  0.123169D+02  0.128976D+02
      2   0.267058D+01  0.441147D+00  0.106607D+02 -0.331859D+01 -0.741977D+01
      3  -0.937263D+01 -0.382156D+01  0.119349D+02 -0.899829D+01 -0.547779D+01
      4  -0.242275D+02 -0.106345D+02  0.268499D+02 -0.275789D+02 -0.217693D+02
      5  -0.971009D+01 -0.894536D+01  0.254449D+02 -0.197201D+02 -0.253940D+02
      6   0.663054D+01  0.527483D+01 -0.106162D+02  0.107429D+02  0.116822D+02
               271           272           273           274           275 
      1  -0.134967D+02  0.180460D+02  0.209675D+02  0.840771D+01 -0.160267D+02
      2   0.534949D+01 -0.128025D+02 -0.713761D+01 -0.638170D+01  0.122525D+02
      3   0.814721D+01 -0.524358D+01 -0.138299D+02 -0.202601D+01  0.377422D+01
      4  -0.110629D+01 -0.320415D+01  0.143940D+01  0.115584D+01  0.322277D+01
      5   0.365486D+01 -0.246616D+01 -0.468562D+01  0.151835D+00  0.341425D+01
      6   0.935676D+01 -0.105275D+02 -0.129542D+02 -0.476024D+01  0.114851D+02
               276           277           278           279           280 
      1  -0.115514D+02  0.167878D+02 -0.169690D+02 -0.287074D+02  0.189130D+01
      2   0.676812D+01 -0.581910D+01  0.854227D+01  0.628338D+01  0.148230D+01
      3   0.478333D+01 -0.109687D+02  0.842671D+01  0.224240D+02 -0.337360D+01
      4   0.286920D+01  0.570325D+01  0.740969D+01  0.616099D+01  0.550862D+01
      5   0.623147D+01  0.105637D+01  0.111605D+02  0.160822D+02 -0.684931D-01
      6   0.128512D+02 -0.614202D+01  0.180949D+02  0.232224D+02 -0.995286D+00
               281           282           283           284           285 
      1   0.884313D+01 -0.794720D+00  0.648456D+01 -0.116190D+02  0.504537D+01
      2  -0.716919D+01  0.177886D+01 -0.317086D+01  0.221805D+02 -0.126272D+02
      3  -0.167393D+01 -0.984140D+00 -0.331370D+01 -0.105615D+02  0.758186D+01
      4   0.165535D+01 -0.187372D+00  0.556571D+01  0.147726D+02 -0.882758D+01
      5   0.180722D+01 -0.938215D+00  0.579895D+00 -0.108206D+02  0.101426D+02
      6   0.451638D-01 -0.294558D+01 -0.420916D+00 -0.733436D+01  0.931700D+01
               286           287           288           289           290 
      1  -0.555717D+01  0.893995D+01 -0.868793D+01  0.791845D+02  0.192987D+02
      2   0.214607D+01 -0.193497D+02  0.126500D+02 -0.366004D+02 -0.259742D+01
      3   0.341110D+01  0.104097D+02 -0.396206D+01 -0.425841D+02 -0.167013D+02
      4  -0.647290D+01 -0.181385D+02  0.705949D+01  0.574460D+02  0.313198D+02
      5  -0.100236D+01  0.973972D+01 -0.183573D+02  0.434472D+02  0.149818D+02
      6  -0.214098D+01  0.804702D+01 -0.131624D+02  0.168500D+02  0.980261D+01
               291           292           293           294           295 
      1   0.180940D+02  0.965459D+01  0.890565D+01  0.195469D+01  0.157794D+02
      2  -0.109804D+02  0.997279D+00 -0.194517D-01 -0.645627D+00 -0.106322D+02
      3  -0.711354D+01 -0.106519D+02 -0.888619D+01 -0.130906D+01 -0.514724D+01
      4   0.164242D+02  0.225309D+02  0.144891D+02  0.548671D+01  0.148690D+02
      5   0.219478D+02  0.780881D+01  0.663023D+01  0.543280D+01  0.228085D+02
      6   0.912069D+01  0.656420D+01  0.446225D+01  0.540238D+01  0.881868D+01
               296           297 
      1   0.293949D+01  0.723351D+01
      2  -0.203290D+01 -0.531416D+01
      3  -0.906591D+00 -0.191935D+01
      4   0.782027D+01  0.112984D+02
      5   0.101876D+02  0.146639D+02
      6   0.760931D+01  0.730859D+01
 Leave Link  716 at Mon Sep 27 18:13:54 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.221323D+03  0.985809D+01  0.362062D+01
      2   0.985809D+01  0.143847D+03 -0.968481D+01
      3   0.362062D+01 -0.968481D+01  0.147254D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.372224D+01  0.453810D+01 -0.519319D+01
      2  -0.350284D+02 -0.266534D+01 -0.506572D+02
      3  -0.805301D+01  0.491030D+02 -0.340516D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.279995D+03 -0.246415D+02 -0.569022D+02
      2   0.134421D+03  0.303399D+02  0.349864D+02
      3   0.145574D+03 -0.569845D+01  0.219159D+02
      4   0.193126D+02 -0.970957D+02  0.589457D+01
      5  -0.557711D+01  0.755878D+01 -0.925300D+02
      6   0.119007D+02  0.378945D+02  0.209529D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.809692D+01  0.166316D+01  0.135824D+01 -0.257175D+01 -0.212113D+00
      2   0.166316D+01 -0.105254D+01  0.587066D+00 -0.212113D+00 -0.391422D+01
      3   0.135824D+01  0.587066D+00 -0.331751D+01 -0.214111D+01  0.644270D+00
                 6             7             8             9            10 
      1  -0.214111D+01  0.125271D+02  0.231680D+00  0.110480D+01 -0.284270D+02
      2   0.644270D+00  0.231680D+00 -0.128832D+01  0.149883D+01 -0.154123D+01
      3   0.714277D+00  0.110480D+01  0.149883D+01  0.117255D+01 -0.249210D+01
                11            12            13            14            15 
      1  -0.154123D+01 -0.249210D+01 -0.303919D+01 -0.393359D+01 -0.199255D+01
      2  -0.204352D+01  0.550686D+00 -0.393359D+01 -0.220554D+01 -0.554559D+00
      3   0.550686D+00 -0.265717D+01 -0.199255D+01 -0.554559D+00 -0.156054D+01
                16            17            18            19            20 
      1  -0.547081D+01 -0.210777D+01 -0.188819D+01 -0.104774D+02 -0.237827D+01
      2  -0.210777D+01 -0.544048D+00 -0.827986D+00 -0.237827D+01  0.268910D+01
      3  -0.188819D+01 -0.827986D+00 -0.102937D+01 -0.161981D+01 -0.158188D+01
                21            22            23            24            25 
      1  -0.161981D+01 -0.942175D+01  0.125560D+00 -0.293034D+00  0.699384D+01
      2  -0.158188D+01  0.125560D+00 -0.244754D+01  0.105567D+01  0.214982D+01
      3   0.734850D+00 -0.293034D+00  0.105567D+01  0.264492D+01 -0.240007D+00
                26            27            28            29            30 
      1   0.214982D+01 -0.240007D+00  0.246579D+02  0.302715D+01  0.285805D+01
      2   0.840288D+00  0.163993D+01  0.302715D+01  0.233974D+01  0.846114D-01
      3   0.163993D+01  0.284615D+01  0.285805D+01  0.846114D-01  0.271069D+01
                31            32            33            34            35 
      1   0.220259D+01  0.372974D+01  0.223857D+01  0.258551D+01  0.244146D+01
      2   0.372974D+01  0.165150D+01  0.129624D+01  0.244146D+01  0.176369D+01
      3   0.223857D+01  0.129624D+01  0.115591D+01  0.246043D+01 -0.584286D+00
                36            37            38            39            40 
      1   0.246043D+01 -0.705009D+01 -0.155170D+01 -0.182748D+01  0.367917D+01
      2  -0.584286D+00 -0.155170D+01  0.399299D+00  0.785474D-01  0.101126D+01
      3   0.829126D+00 -0.182748D+01  0.785474D-01  0.310624D+01  0.176253D+01
                41            42            43            44            45 
      1   0.101126D+01  0.176253D+01 -0.120987D+02 -0.111625D+01 -0.106294D+01
      2   0.369172D+01 -0.902968D+00 -0.111625D+01 -0.175872D+00 -0.781039D+00
      3  -0.902968D+00 -0.761377D+00 -0.106294D+01 -0.781039D+00 -0.162048D+01
                46            47            48            49            50 
      1   0.942549D+01  0.203823D+01  0.161124D+01  0.971518D+01 -0.647034D+00
      2   0.203823D+01 -0.155844D+01  0.649958D+00 -0.647034D+00  0.214356D+01
      3   0.161124D+01  0.649958D+00 -0.224597D+00  0.111615D+01 -0.159801D+01
                51            52            53            54            55 
      1   0.111615D+01 -0.671706D+01 -0.149987D+01  0.234442D+00  0.165346D+02
      2  -0.159801D+01 -0.149987D+01 -0.956039D+00 -0.139916D+01 -0.131398D+01
      3  -0.241254D+01  0.234442D+00 -0.139916D+01 -0.269527D+01 -0.239320D+00
                56            57            58            59            60 
      1  -0.131398D+01 -0.239320D+00 -0.479579D+01  0.512119D+01  0.917096D+00
      2   0.240235D+01  0.444840D+00  0.512119D+01  0.583453D+01 -0.356476D+00
      3   0.444840D+00  0.112022D+01  0.917096D+00 -0.356476D+00 -0.114268D+01
                61            62            63            64            65 
      1  -0.635977D+01  0.121167D+01  0.269538D+01 -0.236051D+01  0.450683D+01
      2   0.121167D+01 -0.189981D+01 -0.467562D+00  0.450683D+01 -0.202965D+01
      3   0.269538D+01 -0.467562D+00  0.582638D+01  0.141520D+01 -0.475252D+00
                66            67            68            69            70 
      1   0.141520D+01  0.114099D+02 -0.327192D+01 -0.494440D+00  0.864783D+01
      2  -0.475252D+00 -0.327192D+01 -0.493313D+01  0.748155D+00 -0.734732D+00
      3  -0.220950D+01 -0.494440D+00  0.748155D+00  0.185597D+01 -0.331044D+01
                71            72            73            74            75 
      1  -0.734732D+00 -0.331044D+01 -0.300335D+01 -0.385074D+01 -0.232656D+01
      2   0.172594D+01  0.191989D+01 -0.385074D+01  0.185267D+01  0.663431D+00
      3   0.191989D+01 -0.756204D+01 -0.232656D+01  0.663431D+00  0.280524D+01
                76            77            78            79            80 
      1  -0.588380D+01  0.358086D+01  0.922320D+00 -0.432491D+01  0.800565D+00
      2   0.358086D+01  0.590291D+01 -0.223491D+01  0.800565D+00 -0.245858D+01
      3   0.922320D+00 -0.223491D+01 -0.170446D+01  0.445004D+01 -0.133046D+01
                81            82            83            84            85 
      1   0.445004D+01 -0.364992D+01 -0.445660D+01 -0.287409D+01 -0.523945D+01
      2  -0.133046D+01 -0.445660D+01  0.221439D+01  0.852010D+00  0.222654D+01
      3   0.502596D+01 -0.287409D+01  0.852010D+00  0.186532D+01  0.837030D+00
                86            87            88            89            90 
      1   0.222654D+01  0.837030D+00 -0.408967D+01  0.965937D+00  0.275918D+01
      2   0.270845D+01 -0.150785D+01  0.965937D+00 -0.242603D+01 -0.324073D+01
      3  -0.150785D+01 -0.230756D+01  0.275918D+01 -0.324073D+01  0.485242D+01
                91            92            93            94            95 
      1  -0.328355D+01  0.848270D+00 -0.810437D-01  0.265962D+00 -0.489864D+01
      2   0.848270D+00 -0.223676D+01 -0.770616D+00 -0.489864D+01 -0.385757D+01
      3  -0.810437D-01 -0.770616D+00 -0.163097D+01 -0.227007D+01 -0.265601D+01
                96            97            98            99           100 
      1  -0.227007D+01  0.413173D+01 -0.183490D+01 -0.304235D+01 -0.133281D+01
      2  -0.265601D+01 -0.183490D+01 -0.103111D+01  0.286262D+01 -0.175854D+01
      3   0.180552D+01 -0.304235D+01  0.286262D+01 -0.183476D+01  0.867380D+00
               101           102           103           104           105 
      1  -0.175854D+01  0.867380D+00 -0.310431D+01  0.436301D+00  0.243746D+01
      2   0.195267D+00  0.116732D+01  0.436301D+00  0.874234D-01  0.457398D+00
      3   0.116732D+01  0.669344D+00  0.243746D+01  0.457398D+00 -0.341688D+01
               106           107           108           109           110 
      1   0.140438D+01  0.175080D+01 -0.563430D+00  0.468022D+01  0.227604D+01
      2   0.175080D+01  0.190715D+00 -0.262140D+01  0.227604D+01  0.130291D+01
      3  -0.563430D+00 -0.262140D+01  0.137454D+01 -0.316586D+01 -0.936496D+00
               111           112           113           114           115 
      1  -0.316586D+01  0.495596D+01  0.181841D+01 -0.176018D+01 -0.694713D+01
      2  -0.936496D+00  0.181841D+01  0.419625D+01 -0.196220D+01 -0.105600D+01
      3   0.140208D+01 -0.176018D+01 -0.196220D+01  0.273737D+01  0.359296D+01
               116           117           118           119           120 
      1  -0.105600D+01  0.359296D+01 -0.966543D+00 -0.988992D-01  0.202470D+01
      2  -0.262583D+01  0.238610D+01 -0.988992D-01 -0.129469D+01 -0.141835D+01
      3   0.238610D+01 -0.659668D+01  0.202470D+01 -0.141835D+01 -0.151712D+01
               121           122           123           124           125 
      1  -0.208418D+01  0.549275D+00 -0.129364D+01  0.430806D+01 -0.278412D+01
      2   0.549275D+00 -0.430242D+01  0.121730D+01 -0.278412D+01  0.334463D+01
      3  -0.129364D+01  0.121730D+01  0.843081D+00 -0.144633D+01  0.517625D+00
               126           127           128           129           130 
      1  -0.144633D+01 -0.350178D+01 -0.194175D+01  0.187248D+01 -0.231141D+01
      2   0.517625D+00 -0.194175D+01 -0.182137D+01  0.135691D+01 -0.171028D+01
      3   0.291455D+01  0.187248D+01  0.135691D+01 -0.145906D+01  0.181104D+01
               131           132           133           134           135 
      1  -0.171028D+01  0.181104D+01  0.213605D+01  0.154240D+01 -0.198462D+01
      2  -0.241174D+01  0.194751D+01  0.154240D+01  0.251186D+01 -0.241522D+01
      3   0.194751D+01 -0.242635D+01 -0.198462D+01 -0.241522D+01  0.350156D+01
               136           137           138           139           140 
      1   0.202229D+01 -0.637154D+00  0.208948D+01 -0.668976D+00  0.394975D+00
      2  -0.637154D+00  0.427805D+00 -0.664246D+00  0.394975D+00 -0.120267D+01
      3   0.208948D+01 -0.664246D+00  0.229811D+01 -0.930321D+00  0.143061D+01
               141           142           143           144           145 
      1  -0.930321D+00  0.203328D+01 -0.120278D+01  0.260692D+01  0.407125D+01
      2   0.143061D+01 -0.120278D+01  0.190275D+01 -0.274106D+01  0.150716D+01
      3  -0.310520D+01  0.260692D+01 -0.274106D+01  0.664040D+01 -0.164122D+01
               146           147           148           149           150 
      1   0.150716D+01 -0.164122D+01  0.178474D+01  0.125575D+01 -0.147151D+01
      2   0.123525D+01 -0.823343D+00  0.125575D+01  0.153131D+01 -0.136489D+01
      3  -0.823343D+00  0.127698D+01 -0.147151D+01 -0.136489D+01  0.201491D+01
               151           152           153           154           155 
      1  -0.206661D+01 -0.135302D+01  0.182511D+01 -0.179635D+01  0.548168D+00
      2  -0.135302D+01 -0.195261D+01  0.181960D+01  0.548168D+00 -0.264682D+00
      3   0.182511D+01  0.181960D+01 -0.331858D+01 -0.187591D+01  0.465255D+00
               156           157           158           159           160 
      1  -0.187591D+01  0.297044D+00 -0.287777D+00  0.695176D+00 -0.244346D+01
      2   0.465255D+00 -0.287777D+00  0.849522D+00 -0.113910D+01  0.112747D+01
      3  -0.207843D+01  0.695176D+00 -0.113910D+01  0.277142D+01 -0.252750D+01
               161           162           163           164           165 
      1   0.112747D+01 -0.252750D+01 -0.314562D+01 -0.168041D+01  0.246371D+00
      2  -0.151931D+01  0.220083D+01 -0.168041D+01 -0.169891D+01 -0.229215D+00
      3   0.220083D+01 -0.659385D+01  0.246371D+00 -0.229215D+00 -0.237311D+00
               166           167           168           169           170 
      1  -0.405967D+01 -0.317448D+01 -0.436057D+00  0.360205D+01  0.330256D+00
      2  -0.317448D+01 -0.854148D+01 -0.416595D+00  0.330256D+00  0.106016D+01
      3  -0.436057D+00 -0.416595D+00 -0.701354D+00 -0.573218D+00 -0.899068D+00
               171           172           173           174           175 
      1  -0.573218D+00 -0.851339D+00  0.311300D+00 -0.134651D+01  0.229291D+01
      2  -0.899068D+00  0.311300D+00 -0.441685D+00 -0.169706D+00 -0.703574D+00
      3  -0.295136D+00 -0.134651D+01 -0.169706D+00 -0.120623D+01  0.299939D+00
               176           177           178           179           180 
      1  -0.703574D+00  0.299939D+00 -0.294272D+01 -0.166960D+00 -0.211696D+01
      2  -0.440429D+00 -0.799532D+00 -0.166960D+00 -0.957045D+00 -0.745377D+00
      3  -0.799532D+00  0.734938D+00 -0.211696D+01 -0.745377D+00 -0.706527D+01
               181           182           183           184           185 
      1   0.693842D+00 -0.100000D+01  0.115094D+01 -0.183612D+01  0.339961D+00
      2  -0.100000D+01  0.394460D+00  0.326107D-01  0.339961D+00  0.607047D-01
      3   0.115094D+01  0.326107D-01  0.663173D+00 -0.134323D+00  0.931898D+00
               186           187           188           189           190 
      1  -0.134323D+00  0.188454D+01 -0.347594D-01  0.513121D+00 -0.105594D+01
      2   0.931898D+00 -0.347594D-01  0.117258D+01 -0.869925D+00 -0.139345D+01
      3  -0.836106D+00  0.513121D+00 -0.869925D+00  0.739671D+01  0.527759D+00
               191           192           193           194           195 
      1  -0.139345D+01  0.527759D+00 -0.325631D+01 -0.342931D+01  0.355410D+00
      2  -0.138920D+01  0.185047D+00 -0.342931D+01 -0.832245D+01  0.119186D+01
      3   0.185047D+00 -0.484486D+00  0.355410D+00  0.119186D+01 -0.110426D+01
               196           197           198           199           200 
      1   0.123982D+01  0.521881D+00 -0.114011D+01 -0.188596D+01  0.395006D+00
      2   0.521881D+00  0.153069D+01 -0.106107D+01  0.395006D+00 -0.440312D+00
      3  -0.114011D+01 -0.106107D+01  0.279247D+00 -0.138533D+01 -0.239290D-01
               201           202           203           204           205 
      1  -0.138533D+01  0.117622D+01 -0.967439D+00  0.259524D+00 -0.373769D+01
      2  -0.239290D-01 -0.967439D+00 -0.284308D+00 -0.693854D+00 -0.228427D+00
      3  -0.154450D+01  0.259524D+00 -0.693854D+00  0.751900D+00 -0.339606D+01
               206           207           208           209           210 
      1  -0.228427D+00 -0.339606D+01 -0.751631D+01  0.215873D+01  0.253529D+01
      2  -0.108323D+01  0.209302D+00  0.215873D+01 -0.145466D+01 -0.748583D+00
      3   0.209302D+00 -0.679832D+01  0.253529D+01 -0.748583D+00 -0.176243D+01
               211           212           213           214           215 
      1   0.500763D+01 -0.243024D+01 -0.126898D+01  0.495335D+01 -0.102799D+01
      2  -0.243024D+01  0.147443D+01  0.122649D+01 -0.102799D+01  0.144788D+01
      3  -0.126898D+01  0.122649D+01  0.136384D+01 -0.292385D+01  0.106919D+01
               216           217           218           219           220 
      1  -0.292385D+01 -0.438353D+01  0.334398D+01  0.182977D+01  0.277132D+01
      2   0.106919D+01  0.334398D+01 -0.325452D+01 -0.113250D+01 -0.307169D+01
      3   0.188615D+01  0.182977D+01 -0.113250D+01 -0.145837D+01 -0.117814D+01
               221           222           223           224           225 
      1  -0.307169D+01 -0.117814D+01  0.289881D+01 -0.187853D+01 -0.200447D+01
      2   0.430995D+01  0.181827D+01 -0.187853D+01  0.291002D+01  0.212937D+01
      3   0.181827D+01  0.141871D+01 -0.200447D+01  0.212937D+01  0.180602D+01
               226           227           228           229           230 
      1  -0.433592D+00  0.992592D+00 -0.828155D+00  0.800530D+00 -0.631118D+00
      2   0.992592D+00 -0.776061D+00  0.264500D+00 -0.631118D+00  0.123836D+01
      3  -0.828155D+00  0.264500D+00 -0.108267D+01  0.215816D+00 -0.110430D+01
               231           232           233           234           235 
      1   0.215816D+00 -0.166591D+01  0.638542D+00 -0.148266D+01  0.834578D+01
      2  -0.110430D+01  0.638542D+00 -0.235321D+01  0.235891D+01  0.133287D+01
      3   0.121106D+01 -0.148266D+01  0.235891D+01 -0.629956D+01  0.117858D+01
               236           237           238           239           240 
      1   0.133287D+01  0.117858D+01  0.822902D+00  0.157250D+01  0.204433D+00
      2   0.231440D+01  0.289052D+00  0.157250D+01  0.134913D+01  0.491084D+00
      3   0.289052D+00  0.693041D+00  0.204433D+00  0.491084D+00  0.690421D+00
               241           242           243           244           245 
      1   0.115078D+01  0.372936D+00  0.449158D+00 -0.182279D+00 -0.119294D+01
      2   0.372936D+00  0.849244D+00  0.895345D+00 -0.119294D+01  0.539651D+00
      3   0.449158D+00  0.895345D+00  0.163290D+00  0.124478D+01 -0.251129D+00
               246           247           248           249           250 
      1   0.124478D+01 -0.200142D+01  0.973619D+00 -0.445381D+00  0.211305D+01
      2  -0.251129D+00  0.973619D+00 -0.148831D+01  0.153364D+01 -0.276836D+00
      3   0.113587D+01 -0.445381D+00  0.153364D+01 -0.190443D+01  0.204576D+01
               251           252           253           254           255 
      1  -0.276836D+00  0.204576D+01 -0.792314D+01 -0.382608D+01 -0.416338D+01
      2   0.186927D+01 -0.161124D+01 -0.382608D+01  0.107077D+01  0.389238D+00
      3  -0.161124D+01  0.522792D+01 -0.416338D+01  0.389238D+00  0.173774D+01
               256           257           258           259           260 
      1   0.131524D+01  0.354483D+01  0.112651D+01 -0.383100D+01  0.501634D+00
      2   0.354483D+01  0.412544D+01  0.229984D+01  0.501634D+00  0.136469D+01
      3   0.112651D+01  0.229984D+01 -0.199015D+01  0.195565D+01 -0.317667D+01
               261           262           263           264           265 
      1   0.195565D+01  0.376703D+01 -0.251081D+01 -0.174915D+01 -0.166334D+01
      2  -0.317667D+01 -0.251081D+01  0.227937D+01  0.117864D+01  0.177783D+01
      3   0.968321D-02 -0.174915D+01  0.117864D+01  0.157642D+01  0.925001D+00
               266           267           268           269           270 
      1   0.177783D+01  0.925001D+00 -0.344988D+01  0.255730D+01  0.265975D+01
      2  -0.273490D+01 -0.110215D+01  0.255730D+01 -0.298852D+01 -0.222654D+01
      3  -0.110215D+01 -0.115276D+01  0.265975D+01 -0.222654D+01 -0.287459D+01
               271           272           273           274           275 
      1  -0.155006D+01  0.123693D+01  0.180452D+01  0.566849D+00 -0.909209D+00
      2   0.123693D+01 -0.207830D+01 -0.138504D+01 -0.909209D+00  0.179273D+01
      3   0.180452D+01 -0.138504D+01 -0.222061D+01 -0.539898D+00  0.132060D+01
               276           277           278           279           280 
      1  -0.539898D+00  0.203470D+01 -0.486989D+00 -0.118689D+01  0.410190D+00
      2   0.132060D+01 -0.486989D+00  0.230472D+01  0.264217D+01  0.787557D+00
      3   0.159709D+01 -0.118689D+01  0.264217D+01  0.432667D+01 -0.315507D+00
               281           282           283           284           285 
      1   0.787557D+00 -0.315507D+00  0.868091D+00 -0.217085D-01 -0.696528D-01
      2  -0.640539D+00  0.985839D-01 -0.217085D-01  0.299175D+01 -0.171606D+01
      3   0.985839D-01 -0.467993D+00 -0.696528D-01 -0.171606D+01  0.171853D+01
               286           287           288           289           290 
      1  -0.145281D+01 -0.463683D+00 -0.406161D+00  0.120716D+02  0.415860D+01
      2  -0.463683D+00 -0.328897D+01  0.164267D+01  0.415860D+01  0.281843D+01
      3  -0.406161D+00  0.164267D+01 -0.293406D+01  0.331664D+01  0.127197D+01
               291           292           293           294           295 
      1   0.331664D+01  0.200520D+01  0.184153D+01  0.595289D+00  0.295326D+01
      2   0.127197D+01  0.184153D+01  0.114705D+01  0.498630D+00  0.110926D+01
      3   0.176364D+01  0.595289D+00  0.498630D+00  0.496804D+00  0.194350D+01
               296           297 
      1   0.110926D+01  0.194350D+01
      2   0.759403D+00  0.120643D+01
      3   0.120643D+01  0.143866D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.226282D+01 -0.964308D+00 -0.221840D+01 -0.630369D+01 -0.121834D+01
      2   0.163121D+01 -0.230010D+01  0.193296D+01 -0.529914D+01  0.127926D+01
      3  -0.700048D+01 -0.362548D+01  0.191027D+00  0.106519D+02 -0.108959D+01
                 6             7             8             9            10 
      1  -0.396937D+01 -0.372429D+01  0.272270D+01 -0.492337D+00 -0.997570D+00
      2  -0.845570D+00 -0.543394D+01 -0.132705D+01 -0.743475D+00  0.378338D+01
      3   0.301568D+01 -0.416644D+01 -0.101022D+01  0.295236D+01  0.123457D+02
                11            12            13            14            15 
      1  -0.158834D+01  0.115296D+01 -0.506574D+01  0.477506D+01 -0.633278D+01
      2   0.109337D+01 -0.276693D+01  0.600345D+01  0.259689D+01 -0.302558D+01
      3   0.104977D+01  0.705463D+00  0.142698D+02  0.129620D+01  0.979437D+00
                16            17            18            19            20 
      1   0.663043D+01  0.247538D+00 -0.561953D+01 -0.231771D+01  0.164768D+01
      2  -0.196204D+02 -0.242928D+01  0.160602D+01  0.154164D+01 -0.255486D+01
      3  -0.290812D+01  0.103743D+01 -0.775597D+00  0.240178D+01 -0.556946D+00
                21            22            23            24            25 
      1  -0.802127D+00  0.380288D+01  0.936535D+00 -0.225059D+00  0.298093D+01
      2   0.856248D+01  0.249140D+01 -0.284850D+01  0.325036D+01 -0.928902D+01
      3   0.335969D+01  0.127803D+02  0.333754D+01  0.534737D+00  0.170728D+01
                26            27            28            29            30 
      1   0.366104D+01  0.359863D+01  0.146207D+01 -0.156398D+01  0.430081D+01
      2   0.449507D-01  0.775335D-01 -0.334300D+01  0.913903D+00 -0.250570D+01
      3  -0.148082D+00 -0.200179D+01 -0.120451D+02 -0.222694D+01 -0.246273D+01
                31            32            33            34            35 
      1  -0.178596D+01  0.515900D+01 -0.522917D+01  0.823495D+01  0.176728D+01
      2   0.592795D+01  0.285607D+01 -0.392319D+01 -0.182181D+02 -0.647082D+01
      3   0.131293D+02  0.110977D+01 -0.117062D+01 -0.858443D+01 -0.721153D+00
                36            37            38            39            40 
      1  -0.417697D+01  0.720231D+00 -0.127671D+01  0.239810D+00 -0.451680D+01
      2  -0.293708D+01  0.593603D+01 -0.114852D+01  0.310149D+01 -0.610770D+01
      3  -0.105085D+01  0.196318D+01 -0.192322D+01  0.291193D+01  0.928027D+01
                41            42            43            44            45 
      1  -0.227161D+01 -0.371769D+01 -0.380371D+01  0.170376D+01 -0.235510D+01
      2   0.681026D+00 -0.206530D+01 -0.140600D+01 -0.121631D+00 -0.423109D+00
      3  -0.564282D+00  0.251447D+01  0.768669D+01  0.126537D+01  0.449274D+01
                46            47            48            49            50 
      1  -0.284368D+00  0.249191D+01 -0.129624D+01  0.554806D+01  0.414704D+00
      2  -0.295428D+01 -0.351772D+01  0.860181D+01 -0.451385D+01 -0.297179D+01
      3  -0.110868D+02 -0.304204D+01  0.218711D+01  0.657711D+01  0.123854D+01
                51            52            53            54            55 
      1  -0.222764D+01  0.279068D+01  0.280145D+01  0.801244D+00 -0.181057D+01
      2   0.472552D+01 -0.571196D+01  0.460015D+00 -0.875863D+00  0.517021D+01
      3  -0.784332D+00  0.840958D+01  0.651049D+00 -0.175963D+01 -0.153468D+02
                56            57            58            59            60 
      1   0.188228D+00  0.109755D+00 -0.225495D+00 -0.679423D+01 -0.292292D+01
      2  -0.133198D+01  0.287411D+00 -0.373020D+01  0.636481D+01  0.386386D+01
      3   0.614500D+01  0.166864D+01  0.286188D+02  0.140222D+02 -0.180862D+01
                61            62            63            64            65 
      1   0.130851D+01  0.242194D+01  0.691473D+01  0.190356D+01 -0.395220D+00
      2  -0.204738D+02  0.316346D+01 -0.211964D+02 -0.111094D+02  0.213278D+01
      3   0.956771D+01 -0.687229D+01 -0.547891D+01  0.255836D+02 -0.128321D+02
                66            67            68            69            70 
      1   0.893852D+00  0.125506D+01 -0.880268D+00 -0.269989D+01 -0.129735D+01
      2   0.117368D+02  0.449760D+01 -0.537002D+01 -0.685588D+01  0.113272D+02
      3  -0.208985D+01 -0.123312D+02 -0.196870D+02  0.336945D+01 -0.867165D+01
                71            72            73            74            75 
      1   0.392608D+01  0.166728D+01 -0.107177D+01 -0.348465D+00  0.133656D+01
      2  -0.948724D+01  0.355715D+02  0.147984D+02 -0.354680D+01 -0.145002D+02
      3   0.683630D+01  0.956606D+01 -0.199524D+02  0.111075D+02  0.489635D+01
                76            77            78            79            80 
      1  -0.919914D+00 -0.182025D+01 -0.211282D+01  0.230014D+01  0.142478D+01
      2  -0.536104D+01  0.139760D+02  0.855578D+01 -0.305668D+02  0.713912D+01
      3   0.289228D+02  0.336925D+02 -0.132940D+02  0.644127D+01 -0.140568D+02
                81            82            83            84            85 
      1   0.216866D+01  0.522295D+01 -0.185918D+01 -0.423148D+01 -0.185890D+01
      2  -0.291951D+02  0.104143D+02 -0.401707D+01 -0.547623D+01 -0.443326D+01
      3  -0.103446D+02 -0.283163D+02 -0.450428D+01 -0.209240D+01  0.131075D+01
                86            87            88            89            90 
      1   0.533566D+01  0.358453D+01 -0.637301D+01  0.999335D+01 -0.969119D+01
      2   0.581002D+01  0.881057D+01 -0.132988D+02  0.123416D+02 -0.191026D+02
      3   0.140318D+02 -0.425441D+01 -0.179143D+01 -0.710122D+01 -0.889467D+01
                91            92            93            94            95 
      1  -0.145746D+01 -0.198421D+01  0.972714D+00 -0.424650D+01 -0.196886D+01
      2   0.877300D+01 -0.200206D+01 -0.378497D+00 -0.839376D+01 -0.458328D+01
      3  -0.675795D+01  0.206359D+01  0.206597D+01  0.232847D+02  0.109518D+02
                96            97            98            99           100 
      1  -0.691968D+01  0.368336D+01  0.180927D+01  0.402636D+01  0.177625D+01
      2   0.877498D+01 -0.237446D+02  0.101046D+02 -0.451340D+01 -0.169437D+02
      3   0.850766D+01  0.870212D+01  0.491360D+01 -0.106907D+02  0.153283D+02
               101           102           103           104           105 
      1   0.650081D+01 -0.782952D+00  0.301432D+01  0.511573D+01  0.104850D+01
      2   0.641281D+01  0.557813D+01  0.835990D+01  0.222125D+01 -0.917872D+01
      3  -0.581255D+01 -0.471244D+01  0.513563D+00 -0.308542D+01 -0.511359D+01
               106           107           108           109           110 
      1  -0.309961D+01  0.102478D+01 -0.234867D+01 -0.196075D+01 -0.411724D+01
      2  -0.554939D+01 -0.848765D+01  0.172157D+02 -0.589032D+01 -0.347940D+01
      3  -0.224953D+01 -0.114792D+02  0.796529D+01 -0.105142D+02 -0.798182D+01
               111           112           113           114           115 
      1  -0.743973D+00 -0.893173D+00 -0.574354D+01 -0.261939D+01  0.865244D-01
      2   0.797501D+01 -0.632028D+01 -0.897135D+01  0.102273D+02  0.949003D+01
      3   0.387466D+01 -0.187920D+01 -0.165486D+02  0.784163D+01 -0.282567D+01
               116           117           118           119           120 
      1   0.755687D+01 -0.150234D-02  0.333712D+01 -0.157600D+01 -0.865570D+00
      2   0.100048D+02 -0.302010D+02  0.974112D+01 -0.669450D+01 -0.315757D+01
      3   0.143780D+02 -0.898928D+01  0.641572D+00  0.236280D+01  0.309848D+01
               121           122           123           124           125 
      1   0.123041D+01  0.166937D+01 -0.594482D+01 -0.350625D+01  0.305264D+01
      2  -0.103067D+01  0.465452D+01  0.420662D+00 -0.696735D+01  0.151423D+01
      3   0.196486D+01  0.185478D+02 -0.419592D+01  0.654235D+01 -0.861685D+01
               126           127           128           129           130 
      1   0.578598D+01  0.329575D+00 -0.194403D+01 -0.915740D+00  0.697900D+00
      2   0.110782D+02  0.552665D+01  0.142838D+01 -0.236442D+00  0.176205D+01
      3   0.111927D+01  0.447898D+01 -0.230686D+00 -0.115102D+01  0.413720D+01
               131           132           133           134           135 
      1  -0.426003D+00 -0.318331D+01 -0.674865D+00  0.176349D+01  0.192226D+01
      2   0.511208D+00  0.477842D+00 -0.279569D+01  0.361246D-01 -0.165500D+01
      3  -0.116351D+01 -0.494964D+00 -0.162546D+01  0.161874D+01  0.575728D-01
               136           137           138           139           140 
      1   0.142246D+01  0.102789D+01  0.218630D+01 -0.508969D+00 -0.742639D+00
      2  -0.356286D+01  0.342147D+00 -0.820262D+00  0.476615D+00  0.595129D-01
      3  -0.316724D+01 -0.344572D+00 -0.180381D+01  0.170336D+01  0.671728D+00
               141           142           143           144           145 
      1  -0.284696D+01  0.558649D+00  0.313958D+01  0.234485D+01 -0.114308D+01
      2  -0.123746D+01 -0.448642D+01  0.204839D+00  0.870002D+00  0.723664D+01
      3   0.549067D+00 -0.234168D+01 -0.759782D+00 -0.159222D+01  0.365599D+01
               146           147           148           149           150 
      1  -0.254096D+01 -0.294624D+00 -0.873517D+00 -0.141406D+01 -0.181164D+01
      2   0.156326D+01 -0.764336D+00  0.268187D+01  0.777575D+00  0.469526D+00
      3  -0.727957D+00 -0.717432D+00  0.264507D+01 -0.942656D+00 -0.152958D-01
               151           152           153           154           155 
      1   0.411673D+00  0.273920D+01  0.437191D+00 -0.216894D+00  0.131576D+01
      2  -0.246000D+01 -0.438751D+00 -0.119621D+01 -0.396298D+01  0.493827D+00
      3  -0.558045D+00  0.201130D+01 -0.236663D+00 -0.134333D+01 -0.485412D+00
               156           157           158           159           160 
      1   0.573171D+00  0.157834D+00 -0.124093D+01 -0.102594D+01 -0.164312D+01
      2  -0.735714D+00  0.300265D+00  0.159011D+00 -0.134834D+01 -0.527027D+01
      3  -0.341161D+00  0.125546D+01  0.651143D+00 -0.165178D+00 -0.717762D+00
               161           162           163           164           165 
      1   0.456337D+01 -0.123679D+01  0.125760D+01  0.112410D+01 -0.982195D+00
      2   0.379142D+00  0.166024D+01 -0.359196D+01 -0.654736D+00  0.220088D+01
      3  -0.139733D+01  0.102646D+00 -0.151861D+01 -0.489288D+01 -0.764428D+00
               166           167           168           169           170 
      1   0.158328D+01  0.591178D+01 -0.308411D+01 -0.104993D+01 -0.991839D+00
      2  -0.141114D+01 -0.238973D+01  0.259331D+01  0.178217D+01  0.275367D+01
      3  -0.273649D+01 -0.236076D+02 -0.118669D+01 -0.235899D+01  0.326967D+01
               171           172           173           174           175 
      1   0.123425D+00 -0.175206D+01  0.515386D+00 -0.104800D+01 -0.116732D+00
      2   0.114507D+01  0.481629D+01  0.605647D+00  0.442610D+01  0.104730D+01
      3  -0.165484D+01  0.285040D+01 -0.264847D+01  0.898705D+00 -0.210439D+01
               176           177           178           179           180 
      1  -0.507474D+00  0.251260D+00 -0.195757D+01  0.296743D+01 -0.771565D+01
      2   0.175133D+01 -0.265457D+01  0.693358D+00  0.200688D+01  0.215309D+02
      3  -0.689420D+00 -0.240382D+01  0.209216D+01 -0.335034D+01  0.930916D+00
               181           182           183           184           185 
      1  -0.137959D+01  0.787442D+00 -0.256102D+00  0.297512D+00 -0.227136D+00
      2  -0.695481D+01  0.625689D+00 -0.339729D+01  0.205948D+01 -0.434865D+01
      3  -0.437578D+01  0.123942D+01 -0.337930D+00  0.389300D+01  0.198910D+00
               186           187           188           189           190 
      1  -0.549130D+00 -0.703443D+00  0.342998D+01 -0.129087D+01  0.176753D+00
      2   0.409653D+01 -0.782160D+01  0.417925D+01 -0.319840D+02 -0.310575D+01
      3   0.402221D+01 -0.787513D+00  0.462329D+01 -0.396973D+01 -0.733789D+01
               191           192           193           194           195 
      1   0.132112D+00 -0.686838D+00  0.215211D+00  0.303517D+00 -0.337117D+01
      2  -0.991606D+00  0.331668D+01 -0.165445D+01 -0.727840D+01  0.708222D+01
      3  -0.806858D+01  0.696171D+00 -0.133551D+02 -0.454834D+02  0.664559D+01
               196           197           198           199           200 
      1  -0.558927D+00  0.417454D+00  0.413336D+00 -0.724731D+00  0.549894D+00
      2   0.488683D+01  0.574117D+01 -0.139792D+01  0.754621D+01  0.169192D+00
      3   0.173662D+01  0.847886D+01 -0.486745D+01  0.308322D+01 -0.360912D+01
               201           202           203           204           205 
      1  -0.901901D+00  0.232044D+00 -0.417441D+00 -0.423987D+00 -0.120511D+01
      2   0.982706D+01 -0.915576D+00  0.354525D+01 -0.430382D+01  0.151952D+02
      3   0.592083D+00 -0.447098D+01 -0.101981D+01 -0.369736D+01  0.452072D+00
               206           207           208           209           210 
      1   0.307083D+01 -0.287141D+01  0.911635D+00 -0.977671D+00  0.115970D-02
      2  -0.152178D+01  0.391944D+02 -0.135526D+02  0.417404D+01  0.123982D+02
      3  -0.681061D+01  0.345701D+01  0.145658D+02 -0.117347D+02 -0.540710D+01
               211           212           213           214           215 
      1  -0.444011D+00  0.106152D+01 -0.603665D+00 -0.638316D+00  0.186371D+01
      2   0.650649D+01 -0.699881D+01 -0.885187D+01  0.146325D+02 -0.619071D+01
      3  -0.138762D+02  0.102282D+02  0.760627D+01 -0.719349D+01  0.984205D+01
               216           217           218           219           220 
      1   0.147161D+00 -0.381782D+01  0.174558D+01  0.449608D+01  0.278526D+01
      2  -0.110946D+02 -0.671793D+01  0.444734D+01  0.728147D+01  0.402581D+01
      3   0.733912D+01  0.494085D+01 -0.910093D+01 -0.110290D+01 -0.395929D+01
               221           222           223           224           225 
      1  -0.309825D+01 -0.456284D+01  0.428465D+01 -0.254857D+01 -0.407155D+01
      2  -0.702546D+01 -0.658208D+01  0.634969D+01 -0.826847D+01 -0.744050D+01
      3   0.126161D+02  0.480751D+01 -0.121797D+01  0.919525D+01  0.513258D+01
               226           227           228           229           230 
      1   0.164445D+01 -0.990911D-01  0.221406D+01 -0.535894D+00  0.158317D+01
      2   0.340583D+01 -0.100625D+01  0.452471D+01 -0.370048D+00  0.382648D+01
      3   0.405192D+01 -0.234283D+01 -0.419838D-01  0.261449D+00  0.364426D+01
               231           232           233           234           235 
      1  -0.387353D+01  0.273676D+01 -0.138114D+01  0.137545D+02 -0.139923D+01
      2  -0.421423D+01  0.182392D+01 -0.867050D+01  0.240437D+02 -0.440189D+01
      3  -0.363299D+01 -0.126291D+01 -0.913251D+01  0.755790D+01  0.270786D+02
               236           237           238           239           240 
      1  -0.147592D+00 -0.245429D+01 -0.176273D+00 -0.886332D+00 -0.194762D+01
      2  -0.847047D+00 -0.119834D+01 -0.568042D+00 -0.183619D+01 -0.116323D+01
      3   0.972869D+01  0.367259D+01  0.105012D+02  0.687002D+01  0.257766D+01
               241           242           243           244           245 
      1  -0.207793D+01 -0.247649D+00 -0.641059D-01 -0.198919D+01  0.887852D+00
      2  -0.443433D+01 -0.277151D+01 -0.362502D+00  0.444792D+01  0.518501D+00
      3   0.348396D+01  0.365279D+01  0.438779D+01  0.411720D+01 -0.233248D+01
               246           247           248           249           250 
      1  -0.703050D+00  0.704743D+00 -0.295992D+01  0.699616D+00 -0.114919D+01
      2   0.333490D+01  0.139021D+01  0.427932D+01 -0.569718D+01  0.194556D+01
      3   0.121250D+01 -0.563536D+00  0.478317D+01 -0.495060D+01  0.310971D+00
               251           252           253           254           255 
      1   0.442334D+01 -0.267201D+01  0.394268D+01  0.133262D+01 -0.510990D+01
      2  -0.529276D+01  0.143574D+02 -0.592466D+01  0.464449D+01  0.127874D+02
      3  -0.634655D+01  0.599778D+01 -0.355822D+01 -0.146629D+02 -0.984954D+01
               256           257           258           259           260 
      1   0.298834D+01 -0.937175D-01  0.766584D+01 -0.270638D+01  0.132116D+02
      2   0.264763D+01  0.451423D+01 -0.951004D+01  0.867465D+01 -0.117404D+02
      3  -0.140490D+02 -0.974377D+01 -0.723715D+01 -0.817987D+01 -0.449090D+01
               261           262           263           264           265 
      1  -0.367635D+01 -0.246171D+01  0.113794D+01  0.280406D+01  0.195675D+01
      2  -0.135447D+01 -0.583203D+01  0.497405D+01  0.620171D+01  0.322156D+01
      3   0.146339D+02  0.471983D+01 -0.673069D+01 -0.213209D+01 -0.355838D+01
               266           267           268           269           270 
      1  -0.186515D+01 -0.225027D+01  0.355358D+01 -0.180353D+01 -0.457069D+01
      2  -0.460359D+01 -0.482410D+01  0.880210D+01 -0.864791D+01 -0.121386D+02
      3   0.821922D+01  0.305227D+01 -0.520562D+01  0.957233D+01  0.586642D+01
               271           272           273           274           275 
      1  -0.265037D+01 -0.991314D+00  0.408846D+01 -0.487039D+00 -0.567558D+00
      2   0.908395D+01 -0.519255D+01 -0.816655D+01 -0.240836D+01  0.530714D+01
      3  -0.904905D+01  0.751910D+01  0.784356D+01  0.571263D+01 -0.690150D+01
               276           277           278           279           280 
      1  -0.312832D+01  0.273377D+01 -0.808101D+00 -0.606098D+01  0.252154D+01
      2   0.530805D+01 -0.817541D+01  0.842400D+01  0.139315D+02 -0.208436D+01
      3  -0.544535D+01  0.644923D+01 -0.768350D+01 -0.114208D+02 -0.330892D+01
               281           282           283           284           285 
      1  -0.850904D+00  0.198308D+01 -0.142040D+00  0.711311D+01 -0.727365D+01
      2  -0.247602D+00 -0.136595D+01 -0.835002D+00 -0.542108D+01  0.544742D+01
      3   0.281719D+01 -0.150979D+01  0.293777D+01 -0.942658D+01  0.572024D+01
               286           287           288           289           290 
      1   0.141074D+01 -0.535961D+01  0.112362D+02 -0.145680D+01  0.183998D+01
      2  -0.275185D+01  0.571401D+01 -0.941877D+01 -0.208537D+01  0.145657D+00
      3  -0.294479D+01  0.994155D+01 -0.695254D+01  0.794002D+01 -0.553700D+01
               291           292           293           294           295 
      1  -0.305944D+01  0.796091D+00  0.612294D+00 -0.201191D+01 -0.260427D+01
      2   0.501436D+01 -0.470754D-01 -0.524008D+00  0.217717D+01  0.223079D+01
      3   0.148525D+01 -0.825700D+00 -0.121371D+01 -0.740738D-01  0.200937D+01
               296           297 
      1  -0.641620D+00 -0.126962D+01
      2   0.271045D+01  0.312966D+01
      3  -0.131027D+01 -0.879105D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.943842D+01 -0.117465D+02  0.209721D+02  0.139087D+02 -0.137279D+02
      2  -0.348610D+01  0.382671D+01 -0.266996D+01 -0.870089D+00  0.214941D+02
      3   0.129245D+02  0.791975D+01 -0.183021D+02 -0.130386D+02 -0.776618D+01
      4  -0.103495D+02 -0.614410D+01  0.849277D+01  0.156161D+01 -0.441372D-01
      5   0.101554D+02  0.623745D+01  0.400906D+01  0.818522D+01  0.305166D+01
      6   0.568588D+01 -0.300110D+01  0.325732D+01  0.630359D+01  0.904894D+00
                 6             7             8             9            10 
      1   0.231869D+01 -0.355542D+02 -0.139024D+02  0.853624D+01  0.524562D+02
      2  -0.443464D+01  0.116097D+02  0.682992D+01 -0.962274D+01 -0.203013D+02
      3   0.211596D+01  0.239445D+02  0.707246D+01  0.108650D+01 -0.321549D+02
      4   0.347386D+01 -0.361831D+01  0.233370D+00 -0.534546D+01  0.154681D+00
      5  -0.698085D+01  0.762005D+01 -0.679683D+01  0.310764D+01  0.292025D+01
      6   0.492143D+00 -0.113249D+02 -0.696542D+01  0.791692D+01  0.197708D+01
                11            12            13            14            15 
      1  -0.480715D+00  0.435077D+01 -0.748653D+01 -0.630349D+01  0.891819D+01
      2   0.256145D+01 -0.468688D+01  0.430573D+01  0.650850D+01 -0.396679D+01
      3  -0.208073D+01  0.336104D+00  0.318079D+01 -0.205003D+00 -0.495140D+01
      4   0.279076D+01 -0.409188D+01  0.830082D+01  0.257197D+01  0.809311D+00
      5  -0.410177D+01  0.380168D+01  0.133991D+02 -0.297926D+00  0.156288D+01
      6  -0.110906D+01  0.339657D+01  0.419441D+01  0.356396D+01  0.113630D+02
                16            17            18            19            20 
      1   0.880481D+01  0.115007D+02 -0.156755D+02  0.136746D+02  0.191661D+02
      2   0.281811D+01  0.491818D+01  0.384845D+01  0.333034D+01 -0.142048D+02
      3  -0.116229D+02 -0.164189D+02  0.118271D+02 -0.170049D+02 -0.496133D+01
      4   0.191516D+02  0.144577D+01 -0.109329D+01  0.404438D+01  0.358195D+01
      5  -0.945416D+01  0.567102D-01  0.291293D+01 -0.149825D+02  0.172790D+01
      6   0.485949D+01  0.588215D+01 -0.529248D+01 -0.241710D+01  0.473793D+01
                21            22            23            24            25 
      1  -0.182712D+02 -0.878820D+01 -0.210654D+01 -0.162101D+02  0.147091D+02
      2   0.119520D+02  0.125510D+01  0.112122D+02 -0.522628D+01 -0.416764D+01
      3   0.631920D+01  0.753310D+01 -0.910569D+01  0.214364D+02 -0.105415D+02
      4  -0.101622D+00  0.120652D+02 -0.602053D+01 -0.806242D+00  0.229198D+01
      5  -0.111513D+02 -0.336988D+01 -0.698040D+00 -0.250804D+00  0.788061D+01
      6  -0.654771D+01 -0.337769D+01 -0.244202D+01  0.265301D+00  0.125971D+02
                26            27            28            29            30 
      1  -0.743218D+01  0.200515D+01  0.596887D+01  0.250592D+01  0.480091D+00
      2  -0.138974D+01 -0.287582D+01 -0.536764D-01 -0.218064D+01 -0.300240D+01
      3   0.882193D+01  0.870678D+00 -0.591519D+01 -0.325281D+00  0.252231D+01
      4  -0.229505D+01  0.849262D+01  0.244176D+01  0.549934D+01 -0.146224D+01
      5   0.792765D+01 -0.627836D+01  0.738102D+01 -0.869455D+00  0.649266D+01
      6   0.191433D+01  0.131609D+02  0.652915D+01  0.272676D+01 -0.798946D+00
                31            32            33            34            35 
      1  -0.107124D+02 -0.864115D+01  0.102790D+02  0.790997D+00  0.129958D+02
      2  -0.831253D+00  0.251100D+01 -0.445082D+01  0.517253D+01  0.349320D+01
      3   0.115436D+02  0.613015D+01 -0.582817D+01 -0.596353D+01 -0.164890D+02
      4   0.781886D+01  0.270848D+01  0.272224D+01  0.207845D+02  0.335456D+01
      5   0.180486D+02  0.347954D+01  0.113878D+01 -0.619897D+01 -0.335550D+01
      6   0.307263D+01  0.484610D+01  0.103794D+02  0.221305D+01  0.595433D+01
                36            37            38            39            40 
      1  -0.173667D+02  0.192067D+01 -0.899325D+01  0.229922D+02  0.113454D+02
      2   0.430539D+01 -0.849846D+01  0.202902D+01 -0.536729D+01  0.617948D+00
      3   0.130613D+02  0.657779D+01  0.696424D+01 -0.176249D+02 -0.119633D+02
      4  -0.362666D+01 -0.133790D+02 -0.548116D+01  0.581254D+01  0.516205D+01
      5  -0.145777D+01  0.107398D+02  0.356065D+01  0.441727D+01  0.435065D+01
      6  -0.718307D+01  0.438456D+01 -0.371458D+01 -0.130194D+01  0.356566D+01
                41            42            43            44            45 
      1  -0.583284D+01 -0.117055D+01 -0.200329D+02 -0.115133D+02  0.104935D+02
      2   0.121742D+02 -0.159649D+01  0.307347D+01  0.255721D+01 -0.829305D+01
      3  -0.634138D+01  0.276704D+01  0.169595D+02  0.895606D+01 -0.220045D+01
      4   0.246627D+00  0.954937D+00 -0.739273D+01 -0.409207D+01 -0.582060D+01
      5   0.261722D+01 -0.781667D+01  0.882110D+01 -0.542394D+01  0.189923D+01
      6   0.266454D+01  0.236746D+01 -0.126000D+02 -0.450433D+01  0.817670D+01
                46            47            48            49            50 
      1  -0.284547D+01  0.116454D+02 -0.162112D+02 -0.213174D+02  0.288561D+01
      2   0.100895D+02 -0.620182D+01  0.995308D+01  0.779492D+01  0.450109D+01
      3  -0.724403D+01 -0.544358D+01  0.625812D+01  0.135224D+02 -0.738671D+01
      4   0.840787D+01  0.754764D+01 -0.127446D+01  0.134118D+02 -0.424247D+01
      5  -0.146414D+02  0.116234D+01 -0.885003D+01 -0.748036D+01 -0.521385D+00
      6   0.376624D+00  0.324775D+01 -0.573950D+01 -0.279458D+01  0.208634D+01
                51            52            53            54            55 
      1  -0.211765D+02  0.225926D+02 -0.669328D+01  0.645199D+00 -0.528730D+02
      2   0.255148D+00 -0.612290D+01 -0.101797D+01  0.425407D+00  0.195838D+02
      3   0.209213D+02 -0.164697D+02  0.771125D+01 -0.107061D+01  0.332892D+02
      4  -0.336388D-01  0.222561D+01 -0.131425D+01  0.540754D+01  0.996880D+01
      5   0.312713D-01  0.555917D+01  0.487234D+01 -0.620936D+01  0.696893D+01
      6   0.345202D+01  0.857151D+01  0.341676D+01  0.157657D+02  0.139204D+01
                56            57            58            59            60 
      1   0.126707D+02  0.612012D+01  0.441529D+02 -0.106142D+02 -0.582094D+01
      2  -0.879052D+01 -0.970315D+00 -0.321611D+02 -0.128816D+02  0.118672D+01
      3  -0.388014D+01 -0.514980D+01 -0.119918D+02  0.234958D+02  0.463423D+01
      4  -0.173690D+02 -0.244764D+01 -0.343538D+02 -0.424251D+02  0.256239D+01
      5  -0.254965D+01 -0.776136D+01 -0.582741D+01  0.392567D+01  0.712575D+01
      6  -0.192163D+01 -0.104477D+01 -0.364903D+01 -0.191325D+01  0.180283D+01
                61            62            63            64            65 
      1   0.417875D+02 -0.873263D+01 -0.251787D+01 -0.273230D+02 -0.372436D+02
      2  -0.121555D+02  0.617691D+01  0.145045D+02  0.195315D+02  0.155916D+02
      3  -0.296320D+02  0.255572D+01 -0.119866D+02  0.779153D+01  0.216520D+02
      4  -0.762089D+01  0.131761D+02  0.307821D+01 -0.404225D+02  0.157708D+02
      5  -0.208013D+02  0.340950D+01 -0.404458D+02 -0.151578D+02  0.397364D+01
      6  -0.203004D+01  0.598921D+00 -0.656225D+01  0.197582D+01  0.146347D+01
                66            67            68            69            70 
      1  -0.122662D+02 -0.748371D+02  0.295693D+02  0.415687D+00 -0.467239D+02
      2   0.826043D+01  0.382400D+02 -0.176502D+02 -0.207972D+00  0.199025D+02
      3   0.400581D+01  0.365971D+02 -0.119191D+02 -0.207716D+00  0.268215D+02
      4   0.372448D+01  0.267402D+02  0.401296D+02 -0.678346D+01  0.602922D+01
      5   0.166883D+02  0.645471D+01 -0.797876D+01 -0.138008D+02  0.335840D+02
      6  -0.455157D+00 -0.124972D+01  0.270838D+01 -0.616813D+00 -0.138039D+01
                71            72            73            74            75 
      1   0.216276D+01  0.299167D+02  0.297924D+02  0.445876D+02  0.271569D+02
      2  -0.148263D+01 -0.725207D+01 -0.134018D+02 -0.255027D+02 -0.125265D+02
      3  -0.680126D+00 -0.226646D+02 -0.163906D+02 -0.190849D+02 -0.146304D+02
      4  -0.130555D+02 -0.155025D+02  0.451719D+02 -0.201445D+02 -0.729844D+01
      5  -0.150288D+02  0.623395D+02  0.300148D+02 -0.823953D+01 -0.322689D+02
      6   0.475321D+01  0.573711D+00 -0.230753D+00  0.142469D+01 -0.291444D+00
                76            77            78            79            80 
      1   0.619369D+02 -0.302658D+02 -0.125034D+02  0.447480D+02 -0.102643D+02
      2  -0.371008D+02  0.609637D+01  0.811349D+01 -0.187258D+02  0.730912D+01
      3  -0.248361D+02  0.241695D+02  0.438996D+01 -0.260222D+02  0.295523D+01
      4  -0.389587D+02 -0.633471D+02  0.251669D+02 -0.905192D+01  0.256404D+02
      5  -0.120598D+02  0.276481D+02  0.186552D+02 -0.533649D+02  0.154735D+02
      6   0.389538D+01  0.405941D+01 -0.883127D+00  0.250346D+00 -0.143397D+01
                81            82            83            84            85 
      1  -0.429810D+02  0.399888D+02  0.297524D+02  0.211334D+02  0.333242D+02
      2   0.287618D+02 -0.312663D+02 -0.914136D+01 -0.845485D+01 -0.120682D+02
      3   0.142192D+02 -0.872251D+01 -0.206110D+02 -0.126785D+02 -0.212560D+02
      4   0.156645D+02  0.275634D+02 -0.276868D+02 -0.142512D+02 -0.315258D+02
      5  -0.558860D+02  0.210763D+02 -0.101197D+02 -0.158922D+02 -0.959370D+01
      6  -0.296811D+01 -0.136246D+02  0.344000D+01  0.879517D+01  0.507288D+01
                86            87            88            89            90 
      1  -0.282404D+02 -0.285221D+01  0.283221D+02 -0.658505D+01 -0.996195D+01
      2   0.215571D+02 -0.440209D+01 -0.862274D+01 -0.366096D+01  0.370346D+01
      3   0.668329D+01  0.725430D+01 -0.196994D+02  0.102460D+02  0.625849D+01
      4  -0.134511D+02  0.134453D+02 -0.156779D+02  0.221761D+02  0.313267D+02
      5   0.132311D+02  0.189399D+02 -0.251040D+02  0.268571D+02 -0.382050D+02
      6  -0.101538D+02 -0.951053D+01  0.120749D+02 -0.140419D+02  0.177644D+02
                91            92            93            94            95 
      1   0.973869D+01  0.160686D+02  0.930497D+01  0.163673D+02 -0.103992D+01
      2  -0.546612D+01 -0.118004D+02 -0.174663D+01 -0.179359D+02 -0.501739D+01
      3  -0.427257D+01 -0.426818D+01 -0.755834D+01  0.156862D+01  0.605731D+01
      4   0.119557D+02 -0.941179D+01 -0.267207D+01 -0.311723D+02 -0.227659D+02
      5   0.596482D+01 -0.276360D+01 -0.813314D+01 -0.144947D+02 -0.165856D+02
      6   0.164001D+01 -0.434433D+01 -0.187405D+01 -0.109578D+02 -0.980291D+01
                96            97            98            99           100 
      1  -0.595027D+01  0.222526D+02 -0.811780D+01 -0.101840D+02 -0.445735D+01
      2  -0.723928D+01 -0.763254D+01 -0.518959D+01  0.132862D+02  0.292026D+01
      3   0.131895D+02 -0.146201D+02  0.133074D+02 -0.310217D+01  0.153709D+01
      4  -0.159699D+02 -0.135595D+02 -0.687911D+01  0.196840D+02 -0.108329D+02
      5   0.143207D+02 -0.203841D+02  0.202167D+02 -0.158273D+02  0.119970D+02
      6  -0.798714D+01  0.143048D+01 -0.153996D+01  0.611478D+01  0.296287D+01
               101           102           103           104           105 
      1  -0.113771D+02  0.215099D+01 -0.167164D+02  0.658210D-01  0.168497D+02
      2   0.110109D+02 -0.648965D+01  0.177974D+02 -0.715303D+01 -0.163056D+02
      3   0.366195D+00  0.433866D+01 -0.108096D+01  0.708721D+01 -0.544106D+00
      4  -0.452816D+01  0.108746D+02 -0.738026D+01  0.627504D+01  0.153041D+01
      5   0.112013D+02 -0.787470D+00  0.269527D+02  0.184187D+01 -0.236832D+02
      6   0.378950D+01 -0.107017D+01 -0.531762D+00  0.350573D+01 -0.147428D+01
               106           107           108           109           110 
      1   0.208716D+02  0.152523D+02 -0.304285D+00  0.458445D+02  0.164512D+02
      2  -0.147272D+02 -0.954548D+01  0.861357D+01 -0.288577D+02 -0.101396D+02
      3  -0.614445D+01 -0.570681D+01 -0.830928D+01 -0.169868D+02 -0.631160D+01
      4   0.193640D+02  0.124572D+02 -0.220619D+02  0.203662D+02  0.192405D+02
      5  -0.936348D+01 -0.218233D+02  0.250164D+02 -0.343208D+02 -0.113726D+02
      6  -0.427570D+01 -0.401884D+01  0.371136D+01 -0.509013D+01 -0.417845D+01
               111           112           113           114           115 
      1  -0.236541D+02  0.288067D+02  0.727229D+01 -0.850084D+01 -0.386442D+02
      2   0.172095D+02 -0.162739D+02 -0.346518D+01  0.993488D+01  0.264566D+02
      3   0.644453D+01 -0.125328D+02 -0.380711D+01 -0.143404D+01  0.121876D+02
      4  -0.894793D+01  0.218920D+02  0.344457D+02 -0.172351D+02 -0.107922D+02
      5   0.228904D+02 -0.190534D+02 -0.177040D+02  0.229819D+02  0.412169D+02
      6   0.353394D+01 -0.579417D+01 -0.795517D+01  0.110104D+02  0.240425D+01
               116           117           118           119           120 
      1  -0.489660D+01  0.912229D+01  0.161939D+01 -0.702890D+01  0.144759D+02
      2   0.867985D+01 -0.285004D+02  0.156260D+01  0.244816D+01 -0.599919D+01
      3  -0.378325D+01  0.193781D+02 -0.318198D+01  0.458074D+01 -0.847671D+01
      4  -0.268923D+02  0.215073D+02 -0.102586D+01 -0.225876D+01 -0.160801D+02
      5   0.213025D+02 -0.614483D+02  0.193038D+02 -0.125005D+02 -0.763668D+01
      6   0.119048D+02 -0.880653D+01 -0.808781D+01  0.630631D+01  0.398916D+01
               121           122           123           124           125 
      1  -0.920142D+01 -0.109150D+02 -0.111148D+02  0.271891D+02 -0.177447D+02
      2  -0.140828D+01  0.281266D+02  0.527325D+01 -0.953087D+01  0.355151D+01
      3   0.106097D+02 -0.172116D+02  0.584159D+01 -0.176583D+02  0.141932D+02
      4   0.159450D+02 -0.381438D+02  0.126118D+02 -0.300882D+02  0.292627D+02
      5  -0.138077D+02  0.141782D+02  0.299588D+01 -0.996539D+01  0.469374D+01
      6   0.583833D+01 -0.194705D+01  0.420513D+01  0.660177D+01  0.229701D+01
               126           127           128           129           130 
      1  -0.112324D+02  0.195022D+01 -0.346246D+01  0.167563D+01 -0.924006D+00
      2   0.527811D+01  0.437315D+00  0.528671D+01 -0.487430D+00  0.154124D+01
      3   0.595425D+01 -0.238753D+01 -0.182425D+01 -0.118820D+01 -0.617232D+00
      4   0.690986D+01  0.109410D+02  0.928453D+01 -0.689770D+01  0.878053D+01
      5   0.242336D+02 -0.128191D+02 -0.786182D+01  0.101161D+02 -0.100283D+02
      6  -0.921447D+01 -0.874165D+01 -0.750256D+01  0.754170D+01 -0.819999D+01
               131           132           133           134           135 
      1  -0.869897D+01  0.790040D+01  0.421834D+01  0.105652D+02 -0.128721D+02
      2   0.824429D+01 -0.318901D+01 -0.658831D+00 -0.668692D+01  0.190231D+01
      3   0.454684D+00 -0.471139D+01 -0.355951D+01 -0.387832D+01  0.109698D+02
      4   0.106707D+02 -0.729204D+01 -0.744554D+01 -0.753536D+01  0.802951D+01
      5  -0.897685D+01  0.100744D+02  0.109639D+02  0.916516D+01 -0.145188D+02
      6  -0.123233D+02  0.117416D+02  0.893625D+01  0.136246D+02 -0.156351D+02
               136           137           138           139           140 
      1  -0.286969D+01  0.198029D+01 -0.587446D+01  0.367489D+01 -0.774700D+01
      2  -0.328532D+01  0.154203D+00 -0.391221D+01  0.207182D+00  0.198562D+01
      3   0.615501D+01 -0.213449D+01  0.978667D+01 -0.388207D+01  0.576138D+01
      4  -0.489614D+01  0.404720D+01 -0.532056D+01  0.317939D+01 -0.357374D+01
      5   0.895404D+01 -0.377340D+01  0.111792D+02 -0.391151D+01  0.322548D+01
      6  -0.504450D+01  0.349290D+01 -0.517230D+01  0.381208D+01 -0.829026D+01
               141           142           143           144           145 
      1   0.126438D+02 -0.756043D+01  0.121569D+02 -0.276060D+02  0.554536D+01
      2   0.609627D+00 -0.219236D+01 -0.217051D+01 -0.617730D+01 -0.314182D+01
      3  -0.132534D+02  0.975279D+01 -0.998636D+01  0.337833D+02 -0.240354D+01
      4   0.427408D+01 -0.612932D+01  0.652676D+01 -0.952245D+01  0.501175D+01
      5  -0.466291D+01  0.103829D+02 -0.576687D+01  0.157323D+02 -0.106294D+02
      6   0.112703D+02 -0.784493D+01  0.130517D+02 -0.209164D+02 -0.362578D+01
               146           147           148           149           150 
      1  -0.135365D+01  0.723946D+00 -0.260004D+01 -0.550621D+01  0.616094D+01
      2   0.172903D+01  0.126084D+01  0.712674D+00  0.390216D+01 -0.553830D+00
      3  -0.375382D+00 -0.198479D+01  0.188736D+01  0.160405D+01 -0.560711D+01
      4   0.502894D+01 -0.290528D+01  0.498191D+01  0.563609D+01 -0.334443D+01
      5  -0.405727D+01  0.749793D+01 -0.643229D+01 -0.574672D+01  0.746884D+01
      6  -0.329154D+01  0.354567D+01 -0.430228D+01 -0.686115D+01  0.658178D+01
               151           152           153           154           155 
      1   0.344195D+01  0.639190D+01 -0.101114D+02 -0.876013D+00  0.428643D+00
      2   0.842094D+00 -0.275602D+01 -0.141437D+01 -0.424541D+01  0.113970D+01
      3  -0.428404D+01 -0.363588D+01  0.115258D+02  0.512142D+01 -0.156835D+01
      4  -0.457957D+01 -0.413040D+01  0.371773D+01 -0.303530D+01  0.273385D+01
      5   0.904484D+01  0.554149D+01 -0.116485D+02  0.762128D+01 -0.294604D+01
      6   0.524533D+01  0.768483D+01 -0.948474D+01 -0.207610D+01  0.210232D+01
               156           157           158           159           160 
      1  -0.354206D+01  0.304891D+01 -0.574286D+01  0.100455D+02 -0.259325D+01
      2  -0.489439D+01  0.132524D+00  0.619957D+00  0.210057D+01 -0.514939D+01
      3   0.843645D+01 -0.318144D+01  0.512290D+01 -0.121461D+02  0.774264D+01
      4  -0.334821D+01  0.240166D+01 -0.252553D+01  0.343791D+01 -0.527551D+01
      5   0.974735D+01 -0.300919D+01  0.303895D+01 -0.379371D+01  0.101512D+02
      6  -0.141038D+01  0.258511D+01 -0.512607D+01  0.641610D+01 -0.384196D+01
               161           162           163           164           165 
      1   0.699784D+01 -0.226622D+02  0.145987D+02  0.715944D+01 -0.226418D+01
      2   0.531161D+00 -0.102136D+02 -0.953128D+00  0.258510D+00  0.793166D+00
      3  -0.752900D+01  0.328759D+02 -0.136456D+02 -0.741795D+01  0.147101D+01
      4   0.525168D+01 -0.697332D+01  0.145678D+02  0.183907D+02  0.164710D+01
      5  -0.451430D+01  0.158021D+02 -0.185613D+01  0.213536D+01  0.374897D+01
      6   0.792946D+01 -0.112961D+02  0.781877D+00  0.158200D+01  0.889826D+00
               166           167           168           169           170 
      1   0.115093D+02 -0.113304D+02 -0.147114D+00 -0.152000D+02  0.480003D+00
      2   0.436319D+01  0.337707D+02  0.526665D+00  0.450418D+01 -0.329055D+01
      3  -0.158725D+02 -0.224403D+02 -0.379551D+00  0.106958D+02  0.281054D+01
      4   0.287152D+02  0.575358D+02  0.292246D+01 -0.344994D+01 -0.782208D+01
      5   0.334075D+01  0.173481D+01  0.500405D+01  0.556208D+01  0.592649D+01
      6   0.312101D+01  0.725996D+01  0.545960D+01  0.193465D+01  0.552315D+01
               171           172           173           174           175 
      1  -0.141050D+01  0.546484D+01 -0.222208D+01  0.646136D+01 -0.108594D+02
      2   0.107761D+01 -0.739298D+01  0.140699D+01 -0.589523D+01  0.675111D+01
      3   0.332885D+00  0.192814D+01  0.815087D+00 -0.566136D+00  0.410831D+01
      4   0.608110D+01 -0.127764D+01  0.452209D+01  0.227059D+01  0.477782D+01
      5   0.178548D+01  0.114442D+02  0.145168D+01  0.138483D+02 -0.233210D+01
      6   0.172918D+00  0.973930D+00  0.123141D+01  0.150801D+01  0.975743D+00
               176           177           178           179           180 
      1  -0.791437D+00 -0.725721D+00  0.109536D+02 -0.221795D+01 -0.122762D+02
      2   0.725429D+00  0.230726D+01 -0.118317D+02  0.496396D+00 -0.158605D+02
      3   0.660080D-01 -0.158154D+01  0.878087D+00  0.172155D+01  0.281366D+02
      4   0.304039D+01  0.494618D+01  0.313662D+01  0.660908D+01  0.494984D+01
      5   0.504077D+01 -0.561934D+01  0.189589D+02  0.475233D+01  0.461777D+02
      6   0.466727D+00  0.397578D+01  0.359885D+01  0.573032D+01  0.112710D+02
               181           182           183           184           185 
      1  -0.201227D+01  0.682948D+01 -0.958164D+01  0.130997D+02 -0.799720D+01
      2  -0.269838D+01 -0.266689D+01  0.314917D+01 -0.630143D+01  0.362170D+01
      3   0.471065D+01 -0.416259D+01  0.643247D+01 -0.679826D+01  0.437550D+01
      4   0.717405D+01 -0.164276D+01 -0.557091D+00 -0.292225D+00 -0.944552D+00
      5  -0.744953D+01 -0.541552D+00 -0.251410D+00  0.913853D+00 -0.690076D+01
      6  -0.144391D+00  0.592603D-01 -0.126411D+00  0.574167D+00 -0.204676D+01
               186           187           188           189           190 
      1   0.207998D+01 -0.175418D+02  0.392605D+00 -0.219570D+02  0.137365D+02
      2   0.149532D+00  0.803779D+01  0.236152D+01 -0.903220D+01 -0.379955D+01
      3  -0.222951D+01  0.950404D+01 -0.275412D+01  0.309892D+02 -0.993697D+01
      4  -0.657546D+01 -0.679008D+00 -0.830603D+01  0.711489D+01  0.171659D+02
      5   0.667703D+01  0.305477D+00  0.705306D+01 -0.564673D+02 -0.648820D+01
      6   0.693207D+01 -0.249809D+00  0.364846D+01 -0.193248D+01 -0.132530D+01
               191           192           193           194           195 
      1   0.154101D+02 -0.611574D+01  0.331752D+02  0.209405D+02 -0.997912D+00
      2  -0.518727D+01  0.274971D+01 -0.109125D+02  0.754785D+01 -0.986239D+00
      3  -0.102228D+02  0.336603D+01 -0.222627D+02 -0.284884D+02  0.198415D+01
      4   0.209131D+02 -0.267308D+01  0.435394D+02  0.916877D+02 -0.134375D+02
      5  -0.269950D+01  0.677468D+01 -0.505097D+01 -0.150171D+02  0.133663D+02
      6  -0.624579D+00  0.630688D+00 -0.239032D+01 -0.488235D+01  0.602839D+01
               196           197           198           199           200 
      1  -0.130119D+02 -0.216074D+01  0.819810D+01  0.234208D+02 -0.479968D+01
      2   0.584491D+01 -0.614627D+00 -0.432330D+01 -0.151876D+02  0.289418D+01
      3   0.716698D+01  0.277537D+01 -0.387480D+01 -0.823321D+01  0.190550D+01
      4  -0.666185D+01 -0.166999D+02  0.110903D+02 -0.434494D+01  0.616647D+01
      5   0.144680D+02  0.119254D+02 -0.320189D+01  0.181791D+02  0.156018D+00
      6   0.237202D+01  0.631740D+01 -0.264989D+01  0.485224D+00  0.804203D-01
               201           202           203           204           205 
      1   0.165065D+02 -0.130834D+02  0.717917D+01 -0.133304D+01  0.396825D+02
      2  -0.104113D+02  0.775064D+01 -0.323430D+01  0.144176D+01 -0.255468D+02
      3  -0.609525D+01  0.533277D+01 -0.394487D+01 -0.108718D+00 -0.141358D+02
      4   0.356178D+00  0.121445D+02  0.299437D+01  0.782650D+01  0.240827D+01
      5   0.227093D+02 -0.324987D+01  0.744654D+01 -0.856740D+01  0.439887D+02
      6   0.105044D+01  0.150157D+01 -0.108241D+01  0.401783D+01  0.107192D+01
               206           207           208           209           210 
      1   0.258042D+01  0.261264D+02  0.966575D+02 -0.264392D+02 -0.307277D+02
      2  -0.956806D+00 -0.270108D+02 -0.506891D+02  0.136453D+02  0.169797D+02
      3  -0.162362D+01  0.884398D+00 -0.459684D+02  0.127939D+02  0.137480D+02
      4   0.127011D+02 -0.360938D+01 -0.272446D+02  0.202873D+02  0.917878D+01
      5  -0.272494D+01  0.785382D+02 -0.349858D+02  0.992258D+01  0.254524D+02
      6   0.431351D+01  0.332540D+01  0.152839D+01 -0.817198D+00 -0.308133D+00
               211           212           213           214           215 
      1  -0.560850D+02  0.240923D+02  0.134384D+02 -0.549028D+02  0.108255D+02
      2   0.286810D+02 -0.973354D+01 -0.775859D+01  0.304997D+02 -0.663637D+01
      3   0.274040D+02 -0.143588D+02 -0.567984D+01  0.244030D+02 -0.418908D+01
      4   0.314137D+02 -0.191230D+02 -0.147167D+02  0.130021D+02 -0.173970D+02
      5   0.175725D+02 -0.152212D+02 -0.175888D+02  0.392290D+02 -0.133142D+02
      6  -0.264633D+01  0.217323D+01  0.261696D+01 -0.169102D+01  0.294530D+01
               216           217           218           219           220 
      1   0.289490D+02  0.332254D+02 -0.189302D+02 -0.127999D+02 -0.161341D+02
      2  -0.196498D+02 -0.815951D+01 -0.661217D+00  0.431582D+01 -0.211922D+01
      3  -0.929915D+01 -0.250659D+02  0.195914D+02  0.848413D+01  0.182533D+02
      4  -0.126981D+02 -0.401159D+02  0.374062D+02  0.146960D+02  0.356018D+02
      5  -0.249174D+02 -0.188164D+02  0.116209D+02  0.155773D+02  0.112324D+02
      6   0.229290D+01  0.938014D+01 -0.693405D+01 -0.835279D+01 -0.749728D+01
               221           222           223           224           225 
      1   0.935599D+01  0.282564D+01 -0.191146D+02  0.501891D+01  0.775888D+01
      2   0.118520D+02  0.413939D+01  0.642766D+01  0.501041D+01 -0.263697D+01
      3  -0.212080D+02 -0.696503D+01  0.126870D+02 -0.100293D+02 -0.512191D+01
      4  -0.436911D+02 -0.176009D+02  0.230835D+02 -0.280323D+02 -0.216033D+02
      5  -0.163946D+02 -0.128826D+02  0.205397D+02 -0.189719D+02 -0.174772D+02
      6   0.115779D+02  0.966224D+01 -0.105159D+02  0.124667D+02  0.101148D+02
               226           227           228           229           230 
      1   0.242804D+01 -0.627024D+01  0.675940D+01 -0.385060D+01 -0.124486D+01
      2  -0.755985D+00  0.150103D+01 -0.420527D+01  0.120779D+00  0.323119D+01
      3  -0.167206D+01  0.476920D+01 -0.255413D+01  0.372983D+01 -0.198633D+01
      4  -0.950087D+01  0.997717D+01 -0.472316D+01  0.854410D+01 -0.106033D+02
      5   0.874769D+01 -0.310404D+01  0.120995D+02 -0.182433D+01  0.861951D+01
      6  -0.316890D+01  0.147579D+01 -0.435494D+01  0.211477D+01 -0.601026D+01
               231           232           233           234           235 
      1   0.353936D+01  0.114513D+02  0.575408D+01 -0.431255D+01 -0.570406D+02
      2  -0.412553D+01 -0.661325D+01 -0.672725D+01 -0.493917D+01  0.326328D+02
      3   0.586167D+00 -0.483803D+01  0.973175D+00  0.925172D+01  0.244077D+02
      4   0.896627D+01 -0.966306D+01  0.191002D+02 -0.216756D+02  0.900629D+01
      5  -0.906808D+01  0.163754D+02 -0.189675D+02  0.501267D+02 -0.523101D+01
      6   0.105404D+02 -0.711361D+01  0.140386D+02 -0.269093D+02  0.480802D+01
               236           237           238           239           240 
      1  -0.203393D+02 -0.100158D+02 -0.138608D+02 -0.155390D+02 -0.343191D+01
      2   0.178166D+02  0.543875D+01  0.126855D+02  0.140211D+02  0.334876D+01
      3   0.252272D+01  0.457704D+01  0.117535D+01  0.151794D+01  0.831447D-01
      4  -0.706704D+01  0.205969D+01 -0.165939D+00 -0.187518D+01 -0.195871D+01
      5  -0.606123D+00 -0.226914D+01 -0.850370D+00 -0.275822D+01 -0.293379D+01
      6   0.224838D+01  0.385522D+01  0.149380D+01  0.245546D+01  0.375540D+01
               241           242           243           244           245 
      1  -0.104595D+02 -0.517010D+01 -0.761591D+01  0.197564D+01 -0.590284D+01
      2   0.508869D+01  0.471320D+01  0.382786D+01 -0.605608D+01  0.417220D+01
      3   0.537084D+01  0.456892D+00  0.378804D+01  0.408045D+01  0.173064D+01
      4   0.177243D+01 -0.455890D+01 -0.444489D+01 -0.762311D+01  0.526922D+01
      5   0.394027D+00 -0.551934D+01  0.104814D+01  0.114882D+02 -0.320644D+01
      6   0.260806D+01  0.504971D+01  0.685567D+00 -0.377164D+01  0.121408D+01
               246           247           248           249           250 
      1   0.511598D+01 -0.842675D+01 -0.106468D+01  0.341210D+01  0.554718D+01
      2  -0.550041D+01  0.576730D+01 -0.178593D+01  0.337221D+01 -0.814589D+01
      3   0.384435D+00  0.265944D+01  0.285061D+01 -0.678432D+01  0.259871D+01
      4  -0.272072D+01  0.850799D+01 -0.976420D+01  0.992551D+01 -0.342546D+01
      5   0.124450D+02 -0.444551D+01  0.104605D+02 -0.136622D+02  0.181346D+02
      6  -0.104303D+01  0.298220D+01 -0.601290D+01  0.772982D+01 -0.192073D+01
               251           252           253           254           255 
      1   0.142562D+01 -0.511477D+01 -0.429878D+02 -0.340875D+02 -0.346582D+02
      2   0.525682D+01 -0.153828D+02  0.223635D+02  0.195919D+02  0.128734D+02
      3  -0.668244D+01  0.204976D+02  0.206242D+02  0.144956D+02  0.217848D+02
      4   0.120688D+02 -0.113350D+02 -0.436007D+02 -0.573820D+01 -0.120447D+02
      5  -0.112514D+02  0.356311D+02 -0.403502D+02 -0.766792D+01  0.146982D+01
      6   0.686301D+01 -0.650269D+01 -0.205154D+02  0.296786D+01  0.988391D+01
               256           257           258           259           260 
      1  -0.205269D+02 -0.187131D+01 -0.126455D+01 -0.328521D+02  0.159626D+00
      2   0.196738D+02  0.119304D+02  0.148344D+02  0.127762D+02  0.128554D+02
      3   0.853099D+00 -0.100591D+02 -0.135698D+02  0.200759D+02 -0.130151D+02
      4   0.117298D+02  0.261993D+02  0.149049D+02 -0.908817D+01  0.949379D+01
      5  -0.618122D+00  0.157474D+02 -0.118933D+02  0.447137D+01 -0.172244D+02
      6   0.904833D+01  0.136487D+02 -0.718523D+01  0.795757D+01 -0.140506D+02
               261           262           263           264           265 
      1   0.235057D+02  0.302348D+02 -0.170224D+02 -0.138372D+02 -0.100585D+02
      2  -0.207186D+02 -0.125355D+02  0.541006D+01  0.620975D+01  0.128403D+01
      3  -0.278707D+01 -0.176993D+02  0.116124D+02  0.762744D+01  0.877445D+01
      4  -0.104913D+02 -0.282826D+02  0.230910D+02  0.133444D+02  0.187046D+02
      5   0.626372D+01 -0.186413D+02  0.118234D+02  0.149667D+02  0.844860D+01
      6  -0.442898D+01  0.777096D+01 -0.547203D+01 -0.520685D+01 -0.452311D+01
               266           267           268           269           270 
      1   0.670205D+01  0.338041D+01 -0.225956D+02  0.123169D+02  0.128976D+02
      2   0.267058D+01  0.441147D+00  0.106607D+02 -0.331859D+01 -0.741977D+01
      3  -0.937263D+01 -0.382156D+01  0.119349D+02 -0.899829D+01 -0.547779D+01
      4  -0.242275D+02 -0.106345D+02  0.268499D+02 -0.275789D+02 -0.217693D+02
      5  -0.971009D+01 -0.894536D+01  0.254449D+02 -0.197201D+02 -0.253940D+02
      6   0.663054D+01  0.527483D+01 -0.106162D+02  0.107429D+02  0.116822D+02
               271           272           273           274           275 
      1  -0.134967D+02  0.180460D+02  0.209675D+02  0.840771D+01 -0.160267D+02
      2   0.534949D+01 -0.128025D+02 -0.713761D+01 -0.638170D+01  0.122525D+02
      3   0.814721D+01 -0.524358D+01 -0.138299D+02 -0.202601D+01  0.377422D+01
      4  -0.110629D+01 -0.320415D+01  0.143940D+01  0.115584D+01  0.322277D+01
      5   0.365486D+01 -0.246616D+01 -0.468562D+01  0.151835D+00  0.341425D+01
      6   0.935676D+01 -0.105275D+02 -0.129542D+02 -0.476024D+01  0.114851D+02
               276           277           278           279           280 
      1  -0.115514D+02  0.167878D+02 -0.169690D+02 -0.287074D+02  0.189130D+01
      2   0.676812D+01 -0.581910D+01  0.854227D+01  0.628338D+01  0.148230D+01
      3   0.478333D+01 -0.109687D+02  0.842671D+01  0.224240D+02 -0.337360D+01
      4   0.286920D+01  0.570325D+01  0.740969D+01  0.616099D+01  0.550862D+01
      5   0.623147D+01  0.105637D+01  0.111605D+02  0.160822D+02 -0.684931D-01
      6   0.128512D+02 -0.614202D+01  0.180949D+02  0.232224D+02 -0.995286D+00
               281           282           283           284           285 
      1   0.884313D+01 -0.794720D+00  0.648456D+01 -0.116190D+02  0.504537D+01
      2  -0.716919D+01  0.177886D+01 -0.317086D+01  0.221805D+02 -0.126272D+02
      3  -0.167393D+01 -0.984140D+00 -0.331370D+01 -0.105615D+02  0.758186D+01
      4   0.165535D+01 -0.187372D+00  0.556571D+01  0.147726D+02 -0.882758D+01
      5   0.180722D+01 -0.938215D+00  0.579895D+00 -0.108206D+02  0.101426D+02
      6   0.451638D-01 -0.294558D+01 -0.420916D+00 -0.733436D+01  0.931700D+01
               286           287           288           289           290 
      1  -0.555717D+01  0.893995D+01 -0.868793D+01  0.791845D+02  0.192987D+02
      2   0.214607D+01 -0.193497D+02  0.126500D+02 -0.366004D+02 -0.259742D+01
      3   0.341110D+01  0.104097D+02 -0.396206D+01 -0.425841D+02 -0.167013D+02
      4  -0.647290D+01 -0.181385D+02  0.705949D+01  0.574460D+02  0.313198D+02
      5  -0.100236D+01  0.973972D+01 -0.183573D+02  0.434472D+02  0.149818D+02
      6  -0.214098D+01  0.804702D+01 -0.131624D+02  0.168500D+02  0.980261D+01
               291           292           293           294           295 
      1   0.180940D+02  0.965459D+01  0.890565D+01  0.195469D+01  0.157794D+02
      2  -0.109804D+02  0.997279D+00 -0.194517D-01 -0.645627D+00 -0.106322D+02
      3  -0.711354D+01 -0.106519D+02 -0.888619D+01 -0.130906D+01 -0.514724D+01
      4   0.164242D+02  0.225309D+02  0.144891D+02  0.548671D+01  0.148690D+02
      5   0.219478D+02  0.780881D+01  0.663023D+01  0.543280D+01  0.228085D+02
      6   0.912069D+01  0.656420D+01  0.446225D+01  0.540238D+01  0.881868D+01
               296           297 
      1   0.293949D+01  0.723351D+01
      2  -0.203290D+01 -0.531416D+01
      3  -0.906591D+00 -0.191935D+01
      4   0.782027D+01  0.112984D+02
      5   0.101876D+02  0.146639D+02
      6   0.760931D+01  0.730859D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x         -0.418088D+00     -0.106267D+01     -0.354469D+01
   y         -0.341455D+00     -0.867891D+00     -0.289497D+01
   z          0.450649D+00      0.114543D+01      0.382076D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.208368D+03      0.308769D+02      0.343552D+02
   yx         0.931197D+01      0.137989D+01      0.153534D+01
   yy         0.134084D+03      0.198693D+02      0.221075D+02
   zx         0.307555D+01      0.455749D+00      0.507089D+00
   zy        -0.921756D+01     -0.136590D+01     -0.151977D+01
   zz         0.137123D+03      0.203195D+02      0.226084D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170808D+03      0.253112D+02      0.281625D+02
   aniso      0.797647D+02      0.118199D+02      0.131514D+02
   xx         0.221323D+03      0.327967D+02      0.364913D+02
   yx         0.985809D+01      0.146082D+01      0.162538D+01
   yy         0.143847D+03      0.213160D+02      0.237172D+02
   zx         0.362062D+01      0.536520D+00      0.596959D+00
   zy        -0.968481D+01     -0.143514D+01     -0.159681D+01
   zz         0.147254D+03      0.218208D+02      0.242789D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.10145150         -0.51474578          3.04519026
     6         -2.22361323         -0.63331010          1.81130981
     6          2.33725247         -0.24980902          1.69946998
     6          2.31707738         -0.08354237         -0.92611061
     6          0.00121780         -0.21453402         -2.17250801
     6         -2.22908876         -0.48735371         -0.81904178
     6         -4.64107380         -0.84653986          3.29313845
     6         -5.46928815          1.64045208          4.56382459
     6         -7.77634742          1.18811662          6.23965148
     6         -5.98559281          3.71401549          2.62336802
     6          4.76486309          0.26687338         -2.38791527
     6          5.04419418         -1.88737721         -4.25775175
     8          4.38298990         -1.85290953         -6.43412741
     8          6.09853045         -3.94921689         -3.17663824
     1          0.16590638         -0.64307097          5.08831814
     1          4.12167492         -0.17830936          2.70048146
     1         -0.05703619         -0.12489036         -4.21573445
     1         -4.00960549         -0.58946142         -1.82430782
     1         -4.42117528         -2.28736851          4.75858178
     1         -6.16176577         -1.49240845          2.05032400
     1         -3.90714111          2.26739457          5.76991374
     1         -7.39574952         -0.24564442          7.67450317
     1         -9.38300498          0.54110389          5.11225885
     1         -8.34633183          2.92012780          7.20502054
     1         -6.53411597          5.47142888          3.55430907
     1         -7.52775484          3.16285746          1.36175967
     1         -4.32724537          4.09694941          1.46220334
     1          6.32176010          0.11021833         -1.04635698
     6          4.88428905          2.82315577         -3.73289574
     1          6.12125891         -5.26872864         -4.44944632
     1          4.66025151          4.34113464         -2.35885364
     1          3.38717392          2.97850394         -5.13525120
     1          6.68869274          3.06476906         -4.69998770

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.703188D+00      0.178732D+01      0.596187D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.183110D+03      0.271340D+02      0.301907D+02
   yx        -0.588824D+01     -0.872547D+00     -0.970839D+00
   yy         0.126103D+03      0.186866D+02      0.207917D+02
   zx        -0.319070D+02     -0.472813D+01     -0.526076D+01
   zy         0.651298D+00      0.965124D-01      0.107385D+00
   zz         0.170361D+03      0.252450D+02      0.280888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170808D+03      0.253112D+02      0.281625D+02
   aniso      0.797647D+02      0.118199D+02      0.131514D+02
   xx         0.195424D+03      0.289588D+02      0.322210D+02
   yx        -0.588606D+01     -0.872224D+00     -0.970480D+00
   yy         0.135406D+03      0.200651D+02      0.223254D+02
   zx        -0.331377D+02     -0.491050D+01     -0.546367D+01
   zy         0.503524D+00      0.746145D-01      0.830199D-01
   zz         0.181595D+03      0.269096D+02      0.299410D+02

 ----------------------------------------------------------------------
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 A SLIP OF THE FOOT YOU MAY SOON RECOVER, BUT A SLIP OF THE TONGUE
 YOU MAY NEVER GET OVER. -- BEN FRANKLIN
 Job cpu time:       1 days  9 hours 30 minutes 51.8 seconds.
 Elapsed time:       0 days  4 hours 11 minutes 41.1 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 18:13:55 2021.
